EOS-AX5463 | Benazepril HCl | 86541-74-4 | C24H29ClN2O5 | 460.95 | CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)O.Cl |
EOS-AX5464 | Clinofibrate | 30299-08-2 | C28H36O6 | 468.58 | CCC(C)(C(=O)O)OC1=CC=C(C=C1)C2(CCCCC2)C3=CC=C(C=C3)OC(C)(CC)C(=O)O |
EOS-AX5465 | Azilsartan Medoxomil | 863031-21-4 | C30H24N4O8 | 568.53 | CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NC(=O)ON5)C(=O)OCC6=C(OC(=O)O6)C |
EOS-AX5466 | EHop-016 | 1380432-32-5 | C25H30N6O | 430.55 | CCN1C2=C(C=C(C=C2)NC3=NC(=NC=C3)NCCCN4CCOCC4)C5=CC=CC=C51 |
EOS-AX5467 | Abacavir sulfate | 188062-50-2 | C14H20N6O5S | 384.41 | C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N.OS(=O)(=O)O |
EOS-AX5468 | Zidovudine | 30516-87-1 | C10H13N5O4 | 267.24 | CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-] |
EOS-AX5469 | Adefovir Dipivoxil | 142340-99-6 | C20H32N5O8P | 501.47 | CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)OCOC(=O)C(C)(C)C |
EOS-AX5470 | Zalcitabine | 7481-89-2 | C9H13N3O3 | 211.22 | C1CC(OC1CO)N2C=CC(=NC2=O)N |
EOS-AX5471 | Etravirine (TMC125) | 269055-15-4 | C20H15BrN6O | 435.28 | CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N |
EOS-AX5472 | Stavudine (d4T) | 3056-17-5 | C10H12N2O4 | 224.21 | CC1=CN(C(=O)NC1=O)C2C=CC(O2)CO |
EOS-AX5473 | SKI II | 312636-16-1 | C15H11ClN2OS | 302.78 | C1=CC(=CC=C1C2=CSC(=N2)NC3=CC=C(C=C3)O)Cl |
EOS-AX5474 | BI-D1870 | 501437-28-1 | C19H23F2N5O2 | 391.42 | CC1C(=O)N(C2=CN=C(N=C2N1CCC(C)C)NC3=CC(=C(C(=C3)F)O)F)C |
EOS-AX5475 | PF-4708671 | 1255517-76-0 | C19H21F3N6 | 390.41 | CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F |
EOS-AX5476 | Palonosetron HCl | 135729-62-3 | C19H25ClN2O | 332.87 | C1CC2CN(C(=O)C3=C2C(=CC=C3)C1)C4CN5CCC4CC5.Cl |
EOS-AX5477 | Trazodone HCl | 25332-39-2 | C19H22ClN5O.HCl | 408.32 | C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl.Cl |
EOS-AX5478 | Amitriptyline HCl | 549-18-8 | C20H23N.HCl | 313.86 | CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl |
EOS-AX5479 | Aripiprazole | 129722-12-9 | C23H27Cl2N3O2 | 448.39 | C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl |
EOS-AX5480 | Azasetron HCl | 123040-16-4 | C17H20ClN3O3.HCl | 386.27 | CN1C(=O)COC2=C1C=C(C=C2C(=O)NC3CN4CCC3CC4)Cl.Cl |
EOS-AX5481 | Clomipramine HCl | 17321-77-6 | C19H23ClN2.HCl | 351.31 | CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl.Cl |
EOS-AX5482 | Clozapine | 5786-21-0 | C18H19ClN4 | 326.82 | CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl |
EOS-AX5483 | Desvenlafaxine | 93413-62-8 | C16H25NO2 | 263.38 | CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O |
EOS-AX5484 | Eletriptan HBr | 177834-92-3 | C22H27BrN2O2S | 463.43 | CN1CCCC1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4.Br |
EOS-AX5485 | Escitalopram Oxalate | 219861-08-2 | C22H23FN2O5 | 414.43 | CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O |
EOS-AX5486 | Lorcaserin HCl | 846589-98-8 | C11H15Cl2N | 232.15 | |
EOS-AX5487 | Olanzapine | 132539-06-1 | C17H20N4S | 312.43 | CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C |
EOS-AX5488 | Ondansetron | 99614-02-5 | C18H19N3O | 293.36 | CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C |
EOS-AX5489 | Urapidil HCl | 64887-14-5 | C20H29N5O3.HCl | 423.94 | CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC.Cl |
EOS-AX5490 | Almotriptan Malate | 181183-52-8 | C17H25N3O2S.C4H6O5 | 469.55 | CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3.C(C(C(=O)O)O)C(=O)O |
EOS-AX5491 | Atomoxetine HCl | 82248-59-7 | C17H22ClNO | 291.82 | CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2.Cl |
EOS-AX5492 | BRL-54443 | 57477-39-1 | C14H18N2O | 230.31 | CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)O |
EOS-AX5493 | Desvenlafaxine Succinate | 386750-22-7 | C16H25NO2.C4H6O4.H2O | 381.46 | CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(CC(=O)O)C(=O)O.O |
EOS-AX5494 | IEM 1754 dihydrobroMide | 162831-31-4 | C16H30N2.2HBr | 412.25 | NCCCCCNCC1(C[C@H]2C3)C[C@@H](C2)C[C@@H]3C1.Br.Br |
EOS-AX5495 | Ketanserin | 74050-98-9 | C22H22FN3O3 | 395.43 | C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O |
EOS-AX5496 | Lamotrigine | 84057-84-1 | C9H7Cl2N5 | 256.09 | C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N |
EOS-AX5497 | LY310762 | 192927-92-7 | C24H27FN2O2.HCl | 430.94 | CC1(C2=CC=CC=C2N(C1=O)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)C.Cl |
EOS-AX5498 | Naratriptan | 143388-64-1 | C17H26ClN3O2S | 371.93 | CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C.Cl |
EOS-AX5499 | Paroxetine HCl | 78246-49-8 | C19H20FNO3.HCl | 365.83 | C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.Cl |
EOS-AX5500 | Prucalopride | 179474-81-8 | C18H26ClN3O3 | 367.87 | COCCCN1CCC(CC1)NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl |
EOS-AX5501 | SB269970 HCl | 261901-57-9 | C18H29ClN2O3S | 388.95 | CC1CCN(CC1)CCC2CCCN2S(=O)(=O)C3=CC=CC(=C3)O.Cl |
EOS-AX5502 | SB271046 | 209481-20-9 | C20H22ClN3O3S2 | 451.99 | CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC(=C(C=C3)OC)N4CCNCC4.Cl |
EOS-AX5503 | SB742457 | 607742-69-8 | C19H19N3O2S | 353.44 | C1CN(CCN1)C2=CC=CC3=CC(=CN=C32)S(=O)(=O)C4=CC=CC=C4 |
EOS-AX5504 | Sertraline HCl | 79559-97-0 | C17H18Cl3N | 342.69 | CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl |
EOS-AX5505 | Tropisetron | 105826-92-4 | C17H20N2O2 | 284.35 | CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43 |
EOS-AX5506 | VUF 10166 | 155584-74-0 | C13H15ClN4 | 262.74 | CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2Cl |
EOS-AX5507 | WAY-100635 Maleate | 1092679-51-0 | C25H34N4O2.C4H4O4 | 538.64 | COC1=C(C=CC=C1)N2CCN(CCN(C(C3CCCCC3)=O)C4=CC=CC=N4)CC2.Cl.Cl.Cl |
EOS-AX5508 | Zolmitriptan | 139264-17-8 | C16H21N3O2 | 287.36 | CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3 |
EOS-AX5509 | Agomelatine | 138112-76-2 | C15H17NO2 | 243.3 | CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC |
EOS-AX5510 | BMY 7378 | 21102-95-4 | C22H31N3O3.2HCl | 458.42 | COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)CC4(CCCC4)CC3=O.Cl.Cl |
EOS-AX5511 | Dapoxetine HCl | 129938-20-1 | C21H23NO.HCl | 341.87 | CN(C)C(CCOC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3.Cl |
EOS-AX5512 | BRL-15572 | 193611-72-2 | C25H27ClN2O.ClH.ClH | 478.13 | C1CN(CCN1CC(C(C2=CC=CC=C2)C3=CC=CC=C3)O)C4=CC(=CC=C4)Cl.Cl.Cl |
EOS-AX5513 | LDE225 (NVP-LDE225,Erismodegib) | 956697-53-3 | C26H26F3N3O3 | 485.5 | CC1CN(CC(O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F |
EOS-AX5514 | Ambroxol HCl | 23828-92-4 | C13H18Br2N2O.HCl | 414.56 | C1CC(CCC1NCC2=CC(=CC(=C2N)Br)Br)O.Cl |
EOS-AX5515 | Amiloride HCl dihydrate | 17440-83-4 | C6H8ClN7O.HCl.2H2O | 302.12 | C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.O.O.Cl |
EOS-AX5516 | Ouabain | 630-60-4 | C29H44O12.8H2O | 728.77 | CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O |
EOS-AX5517 | Phenytoin | 57-41-0 | C15H12N2O2 | 252.27 | C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3 |
EOS-AX5518 | Phenytoin sodium | 630-93-3 | C15H11N2NaO2 | 274.25 | C1=CC=C(C=C1)C2(C(=O)NC(=N2)[O-])C3=CC=CC=C3.[Na+] |
EOS-AX5519 | Procaine HCl | 51-05-8 | C13H20N2O2.HCl | 272.77 | CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.Cl |
EOS-AX5520 | Proparacaine HCl | 5875-06-9 | C16H26N2O3.HCl | 330.85 | CCCOC1=C(C=C(C=C1)C(=O)OCCN(CC)CC)N.Cl |
EOS-AX5521 | Triamterene | 396-01-0 | C12H11N7 | 253.26 | C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N |
EOS-AX5522 | Vinpocetine | 42971-09-5 | C22H26N2O2 | 350.45 | O=C(C(N1C2=C(C3=C([H])C([H])=C([H])C([H])=C13)C([H])([H])C4([H])[H])=C([H])[C@@]5(C([H])([H])C([H])([H])[H])[C@]2([H])N4C([H])([H])C([H])([H])C5([H])[H])OC([H])([H])C([H])([H])[H] |
EOS-AX5523 | A-803467 | 944261-79-4 | C19H16ClNO4 | 357.79 | COC1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl)OC |
EOS-AX5524 | Ibutilide Fumarate | 122647-32-9 | (C20H36N2O3S)2.C4H4O4 | 885.23 | CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.C(=CC(=O)O)C(=O)O |
EOS-AX5525 | Oxcarbazepine | 28721-07-5 | C15H12N2O2 | 252.27 | C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N |
EOS-AX5526 | Rufinamide | 106308-44-5 | C10H8F2N4O | 238.19 | C1=CC(=C(C(=C1)F)CN2C=C(N=N2)C(=O)N)F |
EOS-AX5527 | Propafenone HCl | 34183-22-7 | C21H27NO3.HCl | 377.9 | CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O.Cl |
EOS-AX5528 | KX2-391 | 897016-82-9 | C26H29N3O3 | 431.53 | C1COCCN1CCOC2=CC=C(C=C2)C3=CN=C(C=C3)CC(=O)NCC4=CC=CC=C4 |
EOS-AX5529 | Niclosamide | 50-65-7 | C13H8Cl2N2O4 | 327.12 | C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O |
EOS-AX5530 | Fostamatinib (R788) | 901119-35-5 | C23H26FN6O9P | 580.46 | CC1(C(=O)N(C2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)COP(=O)(O)O)C |
EOS-AX5531 | Daunorubicin HCl | 23541-50-6 | C27H30ClNO10 | 563.98 | Cl[H].O=C(C([H])([H])[H])[C@@](C([H])([H])[C@]1([H])O[C@](C([H])([H])[C@]2([H])N([H])[H])([H])O[C@](C([H])([H])[H])([H])[C@@]2([H])O[H])(C([H])([H])C3=C1C(O[H])=C(C(C4=C5C([H])=C([H])C([H])=C4OC([H])([H])[H])=O)C(C5=O)=C3O[H])O[H] |
EOS-AX5532 | K02288 | 1431985-92-0 | C20H20N2O4 | 352.38 | COC1=CC(=CC(=C1OC)OC)C2=C(N=CC(=C2)C3=CC(=CC=C3)O)N |
EOS-AX5533 | LY364947 | 396129-53-6 | C17H12N4 | 272.3 | C1=CC=C2C(=C1)C(=CC=N2)C3=C(NN=C3)C4=CC=CC=N4 |
EOS-AX5534 | Pirfenidone | 53179-13-8 | C12H11NO | 185.22 | CC1=CN(C(=O)C=C1)C2=CC=CC=C2 |
EOS-AX5535 | SB505124 | 694433-59-5 | C20H21N3O2 | 335.4 | CC1=CC=CC(=N1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4 |
EOS-AX5536 | Beta-Lapachone | 4707-32-8 | C15H14O3 | 242.27 | CC1(CCC2=C(O1)C3=CC=CC=C3C(=O)C2=O)C |
EOS-AX5537 | Pefloxacin Mesylate Dihydrate | 149676-40-4 | C18H28FN3O8S | 465.49 | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O.CS(=O)(=O)O.O.O |
EOS-AX5538 | Flumequine | 42835-25-6 | C14H12FNO3 | 261.25 | FC1=C([H])C2=C(C3=C1[H])N(C([H])=C(C(O[H])=O)C3=O)C(C([H])([H])[H])([H])C([H])([H])C2([H])[H] |
EOS-AX5539 | Irinotecan HCl Trihydrate | 136572-09-3 | C33H45ClN4O9 | 677.18 | O=C(N1CCC(CC1)N2CCCCC2)OC3=CC4=C(CC)C5=C(C(N6C5)=CC(C7(CC)O)=C(COC7=O)C6=O)N=C4C=C3.Cl.O.O.O |
EOS-AX5540 | Pirarubicin | 72496-41-4 | C32H37NO12 | 627.64 | CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)OC6CCCCO6 |
EOS-AX5541 | Topotecan HCl | 119413-54-6 | C23H24ClN3O5 | 457.91 | Cl[H].O=C1N(C([H])([H])C2=C([H])C(C(C([H])([H])N(C([H])([H])[H])C([H])([H])[H])=C3O[H])=C(C([H])=C3[H])N=C42)C4=C([H])C([C@@](C([H])([H])C([H])([H])[H])5O[H])=C1C([H])([H])OC5=O |
EOS-AX5542 | GW441756 | 504433-23-2 | C17H13N3O | 275.3 | CN1C=C(C2=CC=CC=C21)C=C3C4=C(C=CC=N4)NC3=O |
EOS-AX5543 | Plinabulin (NPI-2358) | 714272-27-2 | C19H20N4O2 | 336.39 | CC(C)(C)C1=C(N=CN1)C=C2C(=O)NC(=CC3=CC=CC=C3)C(=O)N2 |
EOS-AX5544 | Mozavaptan | 137975-06-5 | C27H29N3O2 | 427.54 | CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CCCC(C4=CC=CC=C43)N(C)C |
EOS-AX5545 | Tolvaptan | 150683-30-0 | C26H25ClN2O3 | 448.94 | CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)O)C |
EOS-AX5546 | SAR131675 | 1433953-83-3 | C18H22N4O4 | 358.39 | CCN1C(=C(C(=O)C2=C1N=C(C=C2)C#CC(C)(COC)O)C(=O)NC)N |
EOS-AX5547 | ZM 323881 HCl | 193000-39-4 | C22H19ClFN3O2 | 411.86 | CC1=CC(=C(C=C1O)NC2=NC=NC3=C2C=CC(=C3)OCC4=CC=CC=C4)F.Cl |
EOS-AX5548 | Apatinib | 811803-05-1 | C25H27N5O4S | 493.58 | CS(=O)(=O)O.C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4 |
EOS-AX5549 | Semaxanib (SU5416) | 194413-58-6 | C15H14N2O | 238.28 | CC1=CC(=C(N1)C=C2C3=CC=CC=C3NC2=O)C |
EOS-AX5550 | IWP-L6 | 1427782-89-5 | C25H20N4O2S2 | 472.58 | C1CSC2=C1N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)NC4=NC=C(C=C4)C5=CC=CC=C5 |
EOS-AX5551 | IWR-1-endo | 1127442-82-3 | C25H19N3O3 | 409.44 | O=C([C@@]1([H])[C@]2([H])[C@]3([H])C([H])([H])[C@@]1([H])C([H])=C3[H])N(C4=C([H])C([H])=C(C(N([H])C5=C([H])C([H])=C([H])C6=C5N=C([H])C([H])=C6[H])=O)C([H])=C4[H])C2=O |
EOS-AX5552 | LGK-974 | 1243244-14-5 | C23H20N6O | 396.44 | CC1=C(N=CC(=C1)CC(=O)NC2=NC=C(C=C2)C3=NC=CN=C3)C4=CC(=NC=C4)C |
EOS-AX5553 | Atglistatin | 1469924-27-3 | C17H21N3O | 283.37 | CN(C)C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)N(C)C |
EOS-AX5554 | Bay 11-7085 | 196309-76-9 | C13H15NO2S | 249.33 | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C=CC#N |
EOS-AX5555 | BTB06584 | 219793-45-0 | C19H12ClNO6S | 417.82 | C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)Cl |
EOS-AX5556 | CK-636 | 442632-72-6 | C16H16N2OS | 284.38 | CC1=C(C2=CC=CC=C2N1)CCNC(=O)C3=CC=CS3 |
EOS-AX5557 | CORM-3 | 475473-26-8 | C5H4ClNO5Ru | 294.61 | O=C1[O-][Ru+2]([Cl-])([C]=O)([C]=O)([C]=O)[NH2]C1 |
EOS-AX5558 | CRT0044876 | 6960-45-8 | C9H6N2O4 | 206.15 | C1=CC2=C(C(=C1)[N+](=O)[O-])NC(=C2)C(=O)O |
EOS-AX5559 | CW069 | 1594094-64-0 | C23H21IN2O3 | 500.33 | C1=CC=C(C=C1)CC(C(=O)NC2=C(C=C(C=C2)I)C(=O)O)NCC3=CC=CC=C3 |
EOS-AX5560 | FLI-06 | 313967-18-9 | C25H30N2O5 | 438.52 | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC4CCCCC4 |
EOS-AX5561 | PTC-209 | 315704-66-6 | C17H13Br2N5OS | 495.19 | CC1=C(N2C=CC=NC2=N1)C3=CSC(=N3)NC4=C(C=C(C=C4Br)OC)Br |
EOS-AX5562 | Triapine | 236392-56-6 | C7H9N5S | 195.24 | C1=CC(=C(N=C1)C=NNC(=S)N)N |
EOS-AX5563 | AZD3839 | 1227163-56-5 | C24H15F4N5 | 449.4 | C1=CC(=CC(=C1)C2(C3=C(C(N2)N)C(=CC=C3)F)C4=CC(=NC=C4)C(F)F)C5=CN=CN=C5 |
EOS-AX5564 | BAF312 (Siponimod) | 1230487-00-9 | C29H35F3N2O3 | 516.6 | CCC1=C(C=CC(=C1)C(=NOCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)C)CN4CC(C4)C(=O)O |
EOS-AX5565 | CNX-2006 | 1375465-09-0 | C26H27F4N7O2 | 545.53 | FC(F)(F)C1=C(NC2=CC(NC(C=C)=O)=CC=C2)N=C(NC3=CC=C(NC4CN(CCF)C4)C=C3OC)N=C1 |
EOS-AX5566 | GDC-0834 | 1133432-50-4 | C33H36N6O3S | 596.74 | CC1=C(C=CC=C1NC(=O)C2=CC3=C(S2)CCCC3)C4=CN(C(=O)C(=N4)NC5=CC=C(C=C5)C6C(=O)N(CCN6C)C)C |
EOS-AX5567 | Z-IETD-FMK | 210344-98-2 | C30H43FN4O11 | 654.68 | CCC(C)C(C(=O)NC(CCC(=O)OC)C(=O)NC(C(C)O)C(=O)NC(CC(=O)OC)C(=O)CF)NC(=O)OCC1=CC=CC=C1 |
EOS-AX5568 | Z-LEHD-FMK | 210345-04-3 | C32H43FN6O10 | 690.72 | CC(C)CC(C(=O)NC(CCC(=O)OC)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(=O)OC)C(=O)CF)NC(=O)OCC2=CC=CC=C2 |
EOS-AX5569 | Betrixaban | 330942-05-7 | C23H22ClN5O3 | 451.91 | CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)C(=O)NC3=NC=C(C=C3)Cl |
EOS-AX5570 | AV-412 | 451493-31-5 | C41H44ClFN6O7S2 | 851.41 | CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C#CC1=CC2=C(C=C1NC(=O)C=C)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C |
EOS-AX5571 | AV-412 free base | 451492-95-8 | C27H28ClFN6O | 507 | CC(C)(C#CC1=CC2=C(C=C1NC(=O)C=C)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C |
EOS-AX5572 | XCT790 | 725247-18-7 | C23H13F9N4O3S | 596.42 | COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=NN=C(S2)C(F)(F)F)OCC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F |
EOS-AX5573 | Almorexant | 871224-64-5 | C29H31F3N2O3 | 512.56 | CNC(=O)C(C1=CC=CC=C1)N2CCC3=CC(=C(C=C3C2CCC4=CC=C(C=C4)C(F)(F)F)OC)OC |
EOS-AX5574 | Almorexant hydrochloride | 913358-93-7 | C29H32ClF3N2O3 | 549.02 | C/N=C(O)/[C@@](N1CCC2=CC(OC)=C(OC)C=C2[C@@]1([H])CCC3=CC=C(C(F)(F)F)C=C3)([H])C4=CC=CC=C4.Cl |
EOS-AX5575 | PCI-32765 Racemate | 936563-87-0 | C25H24N6O2 | 440.5 | C=CC(=O)N1CCCC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N |
EOS-AX5576 | Btk inhibitor 1 R enantiomer | 1022150-12-4 | C22H22N6O | 386.45 | C1CC(CNC1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N |
EOS-AX5577 | Btk inhibitor 1 R enantiomer hydrochloride | 1553977-42-6 | C22H23ClN6O | 422.91 | NC1=C(C2=NC=N1)C(C3=CC=C(OC4=CC=CC=C4)C=C3)=NN2[C@]5([H])CCCNC5.Cl |
EOS-AX5578 | Btk inhibitor 1 hydrochloride | C22H23ClN6O | 422.91 | NC1=C(C2=NC=N1)C(C3=CC=C(OC4=CC=CC=C4)C=C3)=NN2C5CCCNC5.Cl | |
EOS-AX5579 | R788 disodium hexahydrate | 914295-16-2 | C23H24FN6Na2O9P | 624.42 | CC1(C(=O)N(C2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)COP(=O)([O-])[O-])C.O.[Na+].[Na+] |
EOS-AX5580 | Telotristat | 1033805-28-5 | C25H22ClF3N6O3 | 546.93 | CC1=NN(C=C1)C2=C(C=CC(=C2)Cl)C(C(F)(F)F)OC3=NC(=NC(=C3)C4=CC=C(C=C4)CC(C(=O)O)N)N |
EOS-AX5581 | Vanoxerine dihydrochloride | 67469-78-7 | C28H34Cl2F2N2O | 523.49 | FC1=CC=C(C(OCCN2CCN(CC2)CCCC3=CC=CC=C3)C4=CC=C(F)C=C4)C=C1.Cl.Cl |
EOS-AX5582 | Vanoxerine | 67469-69-6 | C28H32F2N2O | 450.56 | C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F |
EOS-AX5583 | RJR-2403 hemioxalate | C22H30N4O4 | 414.5 | CNCC/C([H])=C([H])/C1=CN=CC=C1.CNCC/C([H])=C([H])/C2=CN=CC=C2.OC(C(O)=O)=O | |
EOS-AX5584 | Dorsomorphin | 866405-64-3 | C24H25N5O | 399.49 | C1CCN(CC1)CCOC2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC=C5)N=C3 |
EOS-AX5585 | Meisoindigo | 97207-47-1 | C17H12N2O2 | 276.29 | CN1C2=CC=CC=C2C(=C3C4=CC=CC=C4NC3=O)C1=O |
EOS-AX5586 | Norepinephrine hydrochloride | 329-56-6 | C8H12ClNO3 | 205.64 | C1=CC(=C(C=C1C(CN)O)O)O.Cl |
EOS-AX5587 | Siramesine hydrochloride | 224177-60-0 | C30H32ClFN2O | 491.04 | FC1=CC=C(N2C=C(C3=CC=CC=C32)CCCCN4CCC5(C6=CC=CC=C6CO5)CC4)C=C1.Cl |
EOS-AX5588 | RO4987655 | 874101-00-5 | C20H19F3IN3O5 | 565.28 | C1CC(=O)N(OC1)CC2=C(C(=C(C(=C2)C(=O)NOCCO)NC3=C(C=C(C=C3)I)F)F)F |
EOS-AX5589 | Omadacycline tosylate | 1075240-43-5 | C36H48N4O10S | 728.85 | CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)CNCC1=CC(=C2CC3CC4C(C(=C(C(=O)C4(C(=O)C3=C(C2=C1O)O)O)C(=O)N)O)N(C)C)N(C)C |
EOS-AX5590 | Ipragliflozin | 761423-87-4 | C21H21FO5S | 404.45 | C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)F |
EOS-AX5591 | PSI-7976 | 1190308-01-0 | C22H29FN3O9P | 529.45 | CC(OC([C@](NP(OC[C@](O1)([H])[C@](O)([H])[C@]([C@]1([H])N2C=CC(O)=NC2=O)(F)C)(OC3=CC=CC=C3)=O)([H])C)=O)C |
EOS-AX5592 | Balicatib | 354813-19-7 | C23H33N5O2 | 411.54 | CCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)NCC#N |
EOS-AX5593 | AMG 487 | 473719-41-4 | C32H28F3N5O4 | 603.59 | CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=CC=C3)N=C2C(C)N(CC4=CN=CC=C4)C(=O)CC5=CC=C(C=C5)OC(F)(F)F |
EOS-AX5594 | AHU-377 hemicalcium salt | 1369773-39-6 | C24H28Ca0.5NO5 | 430.52 | O=C(OCC)[C@@H](C)C[C@@H](NC(CCC([O-])=O)=O)CC1=CC=C(C2=CC=CC=C2)C=C1.[0.5Ca2+] |
EOS-AX5595 | TAK-593 | 1005780-62-0 | C23H23N7O3 | 445.47 | CC1=C(C=C(C=C1)OC2=NN3C=C(N=C3C=C2)NC(=O)C4CC4)NC(=O)C5=CC(=NN5C)C |
EOS-AX5596 | AR 231453 | 733750-99-7 | C21H24FN7O5S | 505.52 | CC(C)C1=NOC(=N1)C2CCN(CC2)C3=C(C(=NC=N3)NC4=C(C=C(C=C4)S(=O)(=O)C)F)[N+](=O)[O-] |
EOS-AX5597 | MMAF | 745017-94-1 | C39H65N5O8 | 731.96 | CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)NC |
EOS-AX5598 | CEP-37440 | 1391712-60-9 | C30H38ClN7O3 | 580.12 | C/N=C(O)/C1=CC=CC=C1/N=C(N2)\C(Cl)=CN=C2NC3=C(OC)C(CCC[C@@](N4CCN(CCO)CC4)([H])C5)=C5C=C3 |
EOS-AX5599 | Inauhzin | 309271-94-1 | C25H19N5OS2 | 469.58 | CCC(SC1=NC2=C(N=N1)C3=CC=CC=C3N2)C(N4C5=CC=CC=C5SC6=CC=CC=C64)=O |
EOS-AX5600 | CCT007093 | 176957-55-4 | C15H12OS2 | 272.39 | C1CC(=CC2=CC=CS2)C(=O)C1=CC3=CC=CS3 |
EOS-AX5601 | TCS JNK 5a | 312917-14-9 | C20H16N2OS | 332.42 | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC4=CC=CC=C43)C#N |
EOS-AX5602 | MG 149 | 1243583-85-8 | C22H28O3 | 340.46 | CCCCCCCC1=CC=C(CCC2=C(C(O)=O)C(O)=CC=C2)C=C1 |
EOS-AX5603 | AMG 925 | 1401033-86-0 | C26H29N7O2 | 471.55 | C[C@H]1CC[C@H](N2C3=CN=CC=C3C4=CN=C(NC5=NC6=C(CN(C(CO)=O)CC6)C=C5)N=C24)CC1 |
EOS-AX5604 | BQ-788 sodium salt | 156161-89-6 | C34H50N5NaO7 | 663.78 | CCCCC(C(=O)[O-])N(C(=O)C(CC1=CN(C2=CC=CC=C21)C(=O)OC)N)C(=O)C(CC(C)(C)C)NC(=O)N3C(CCCC3C)C.[Na+] |
EOS-AX5605 | ACT-132577 | 1103522-45-7 | C16H14Br2N6O4S | 546.19 | BrC1=CC=C(C2=C(OCCOC3=NC=C(Br)C=N3)NC=N/C2=N\S(N)(=O)=O)C=C1 |
EOS-AX5606 | Kif15-IN-1 | 672926-32-8 | C20H22N4O5S | 430.48 | CCOC(C(S1)=C(N=C1/N=C(O)/[C@](N2C(C3=CC=CC=C3N=C2O)=O)([H])C(C)C)C)=O |
EOS-AX5607 | Kif15-IN-2 | 672926-33-9 | C20H20N6O4S | 440.48 | CC([C@@](N1C(C2=CC=CC=C2N=C1O)=O)([H])/C(O)=N/C3=NC(C)=C(S3)C4=NN=C(O4)C)C |
EOS-AX5608 | ATN-224 | ||||
EOS-AX5609 | PF-04449913 | 1095173-27-5 | C21H22N6O | 374.44 | CN1CCC(CC1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)C#N |
EOS-AX5610 | MI-773 | 1303607-07-9 | C29H34Cl2FN3O3 | 562.5 | CC(C)(C[C@](N1)([H])[C@@]([C@@]([C@]1([H])/C(O)=N/[C@]2([H])CC[C@](O)([H])CC2)([H])C3=C(F)C(Cl)=CC=C3)(C(O)=N4)C5=C4C=C(Cl)C=C5)C |
EOS-AX5611 | APY29 | 1216665-49-4 | C17H16N8 | 332.36 | C1(C2=CC(/N=C(N3)\C=CN=C3NC4=CC5=C(N=CN5)C=C4)=NN2)CC1 |
EOS-AX5612 | Calcium N5-methyltetrahydrofolate | 26560-38-3 | C20H23CaN7O6 | 497.52 | CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Ca+2] |
EOS-AX5613 | Lisinopril dihydrate | 83915-83-7 | C21H35N3O7 | 441.52 | C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O.O.O |
EOS-AX5614 | Walrycin B | 878419-78-4 | C14H10F3N5O2 | 337.26 | CN1C(C(C2=NC1=O)=NC(C3=CC=C(C(F)(F)F)C=C3)=NN2C)=O |
EOS-AX5615 | Cinepazide | 23887-46-9 | C22H31N3O5 | 417.5 | COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCN(CC2)CC(=O)N3CCCC3 |
EOS-AX5616 | p53 and MDM2 proteins-interaction-inhibitor dihydrochloride | C40H51Cl4N5O4 | 807.68 | CCOC1=C(C(N2C(N3CCN(CC(N4CCOCC4)=O)CC3)=O)=N[C@@](C5=CC=C(Cl)C=C5)([C@]2(C6=CC=C(Cl)C=C6)C)C)C=CC(C(C)(C)C)=C1.Cl.Cl | |
EOS-AX5617 | (R)-(-)-Modafinic acid | 112111-45-2 | C15H14O3S | 274.33 | C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)O |
EOS-AX5618 | (S)-(+)-Modafinic acid | 112111-44-1 | C15H14O3S | 274.33 | C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)O |
EOS-AX5619 | Cilazapril | 88768-40-5 | C22H31N3O5 | 417.5 | CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCN3CCCC(N3C2=O)C(=O)O |
EOS-AX5620 | Cromolyn sodium | 15826-37-6 | C23H14Na2O11 | 512.33 | C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)[O-])O)C(=O)C=C(O2)C(=O)[O-].[Na+].[Na+] |
EOS-AX5621 | Sulfadimethoxine | 122-11-2 | C12H14N4O4S | 310.33 | COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC |
EOS-AX5622 | ATP disodium salt | 987-65-5 | C10H14N5Na2O13P3 | 551.14 | C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])O)O.[Na+].[Na+] |
EOS-AX5623 | Memantine hydrochloride | 41100-52-1 | C12H22ClN | 215.76 | CC12CC3CC(C1)(CC(C3)(C2)N)C.Cl |
EOS-AX5624 | Cyproheptadine hydrochloride | 969-33-5 | C21H22ClN | 323.86 | CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1.Cl |
EOS-AX5625 | Terazosin | 63590-64-7 | C19H25N5O4 | 387.43 | COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC |
EOS-AX5626 | Moxonidine hydrochloride | 75536-04-8 | C9H13Cl2N5O | 278.14 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC.Cl |
EOS-AX5627 | Sitafloxacin | 127254-12-0 | C19H18ClF2N3O3 | 409.81 | C1CC12CN(CC2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5F)F |
EOS-AX5628 | D-Sorbitol | 98201-93-5 | C6H14O6 | 182.17 | C(C(C(C(C(CO)O)O)O)O)O |
EOS-AX5629 | Bupropion hydrochloride | 31677-93-7 | C13H19Cl2NO | 276.2 | CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C.Cl |
EOS-AX5630 | Quinine hydrochloride dihydrate | ||||
EOS-AX5631 | Sotalol hydrochloride | 959-24-0 | C12H21ClN2O3S | 308.82 | CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl |
EOS-AX5632 | Spectinomycin dihydrochloride | 21736-83-4 | C14H26Cl2N2O7 | 405.27 | Cl[H].Cl[H].O=C1[C@]2(O[H])O[C@@]([C@@]([C@@]3([H])O[H])([H])N([H])C([H])([H])[H])([H])[C@]([C@@]([C@]3([H])N([H])C([H])([H])[H])([H])O[H])([H])O[C@]2([H])O[C@@](C([H])([H])[H])([H])C1([H])[H] |
EOS-AX5633 | Vardenafil | 224785-90-4 | C23H32N6O4S | 488.6 | CCCC1=NC(=C2N1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C |
EOS-AX5634 | Xylazine | 7361-61-7 | C12H16N2S | 220.33 | CC1=C(C(=CC=C1)C)NC2=NCCCS2 |
EOS-AX5635 | Cefprozil monohydrate | 121123-17-9 | C18H21N3O6S | 407.44 | CC=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O.O |
EOS-AX5636 | Amoxicillin trihydrate | 61336-70-7 | C16H19N3O5S | 365.4 | CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C.O.O.O |
EOS-AX5637 | Arecoline hydrobromide | 300-08-3 | C8H14BrNO2 | 236.11 | CN1CCC=C(C1)C(=O)OC.Br |
EOS-AX5638 | Doxapram | 309-29-5 | C24H30N2O2 | 378.51 | CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4 |
EOS-AX5639 | Dibucaine | 85-79-0 | C20H29N3O2 | 343.46 | CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC |
EOS-AX5640 | Ropivacaine hydrochloride monohydrate | 132112-35-7 | C17H29ClN2O2 | 328.88 | CCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C.O.Cl |
EOS-AX5641 | Verbascoside | 61276-17-3 | C29H36O15 | 624.59 | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O |
EOS-AX5642 | DDR1-IN-1 | 1449685-96-4 | C30H31F3N4O3 | 552.59 | CCN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)OC4=CC5=C(C=C4)NC(=O)C5)C(F)(F)F |
EOS-AX5643 | TPT-260 | 769856-81-7 | C8H12N4S3 | 260.4 | N=C(SCC(S1)=CC=C1CSC(N)=N)N |
EOS-AX5644 | TPT-260 Dihydrochloride | 2076-91-7 | C8H14Cl2N4S3 | 333.32 | N=C(SCC(S1)=CC=C1CSC(N)=N)N.Cl.Cl |
EOS-AX5645 | Eribulin mesylate | 441045-17-6 | C41H63NO14S | 826 | CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)CC9C(CC(C1=C)O2)OC(C9OC)CC(CN)O.CS(=O)(=O)O |
EOS-AX5646 | Eribulin | 253128-41-5 | C40H59NO11 | 729.9 | CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)CC9C(CC(C1=C)O2)OC(C9OC)CC(CN)O |
EOS-AX5647 | GNF179 | 1261114-01-5 | C22H23ClFN5O | 427.9 | CC1(C2=NC(C3=CC=C(F)C=C3)=C(N2CCN1C(CN)=O)NC4=CC=C(Cl)C=C4)C |
EOS-AX5648 | GNF179 Metabolite | 1310455-86-7 | C14H16FN3 | 245.3 | CC1(C)C2=NC(C3=CC=C(F)C=C3)=CN2CCN1 |
EOS-AX5649 | Eperezolid | 165800-04-4 | C18H23FN4O5 | 394.4 | CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CO)F |
EOS-AX5650 | GS-9973 | ||||
EOS-AX5651 | GSK269962A | 850664-21-0 | C29H30N8O5 | 570.6 | CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6 |
EOS-AX5652 | MK-4827 Racemate | 1038915-75-1 | C19H20N4O | 320.39 | N=C(O)C1=CC=CC(C1=N2)=CN2C3=CC=C(C4CCCNC4)C=C3 |
EOS-AX5653 | Guanfacine | 29110-47-2 | C9H9Cl2N3O | 246.09 | C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl |
EOS-AX5654 | AMD 3465 | 185991-24-6 | C24H38N6 | 410.6 | C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNCC3=CC=CC=N3 |
EOS-AX5655 | AMD 3465 hexahydrobromide | 185991-07-5 | C24H38N6.6HBr | 896.07 | N1(CC2=CC=C(CNCC3=NC=CC=C3)C=C2)CCNCCCNCCNCCC1 |
EOS-AX5656 | Tirasemtiv | 1005491-05-3 | C12H14N4O | 230.27 | CCC(CC)N1C2=NC(=CN=C2NC1=O)C#C |
EOS-AX5657 | Tirapazamine | 27314-97-2 | C7H6N4O2 | 178.15 | C1=CC=C2C(=C1)N(C(=N)N=[N+]2[O-])O |
EOS-AX5658 | CGP 57380 | ||||
EOS-AX5659 | Amifampridine | 54-96-6 | C5H7N3 | 109.13 | C1=CN=CC(=C1N)N |
EOS-AX5660 | Miglustat hydrochloride | 210110-90-0 | C10H22ClNO4 | 255.74 | CCCCN1CC(C(C(C1CO)O)O)O.Cl |
EOS-AX5661 | Miglustat | 72599-27-0 | C10H21NO4 | 219.28 | CCCCN1CC(C(C(C1CO)O)O)O |
EOS-AX5662 | Methylcobalamin | 13422-55-4 | C63H91CoN13O14P+ | 1344.38 | [CH3-].CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3] |
EOS-AX5663 | Travoprost | 157283-68-6 | C26H35F3O6 | 500.55 | CC(C)OC(=O)CCCC=CCC1C(CC(C1C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)O)O |
EOS-AX5664 | Dexrazoxane | 24584-09-6 | C11H16N4O4 | 268.27 | CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2 |
EOS-AX5665 | Ketorolac | 74103-06-3 | C15H13NO3 | 255.27 | C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O |
EOS-AX5666 | Loxoprofen | 68767-14-6 | C15H18O3 | 246.3 | CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)O |
EOS-AX5667 | Latanoprost | 130209-82-4 | C26H40O5 | 432.59 | CC(C)OC(=O)CCCC=CCC1C(CC(C1CCC(CCC2=CC=CC=C2)O)O)O |
EOS-AX5668 | Carbenicillin | 4697-36-3 | C17H18N2O6S | 378.4 | CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C |
EOS-AX5669 | Ampicillin | ||||
EOS-AX5670 | Galanthaminone | 510-77-0 | C17H19NO3 | 285.34 | CN1CCC23C=CC(=O)CC2OC4=C(C=CC(=C34)C1)OC |
EOS-AX5671 | Solifenacin hydrochloride | 180468-39-7 | C23H27ClN2O2 | 398.93 | C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5.Cl |
EOS-AX5672 | Pentamidine dihydrochloride | 50357-45-4 | C19H26Cl2N4O2 | 413.34 | C1=CC(=CC=C1C(=[NH2+])N)OCCCCCOC2=CC=C(C=C2)C(=[NH2+])N.[Cl-].[Cl-] |
EOS-AX5673 | Ethambutol dihydrochloride | ||||
EOS-AX5674 | Ethambutol | 74-55-5 | C10H24N2O2 | 204.31 | CCC(CO)NCCNC(CC)CO |
EOS-AX5675 | R-(-)-Deprenyl hydrochloride | 14611-52-0 | C13H18ClN | 223.74 | CC(CC1=CC=CC=C1)N(C)CC#C.Cl |
EOS-AX5676 | Zaleplon | 151319-34-5 | C17H15N5O | 305.33 | |
EOS-AX5677 | Vigabatrin Hydrochloride | 1391054-02-6 | C6H12ClNO2 | 165.62 | C=CC(CCC(=O)O)N.Cl |
EOS-AX5678 | U-73122 | 112648-68-7 | C29H40N2O3 | 464.64 | CC12CCC3C(C1CCC2NCCCCCCN4C(=O)C=CC4=O)CCC5=C3C=CC(=C5)OC |
EOS-AX5679 | SB-334867 free base | 792173-99-0 | C17H13N5O2 | 319.32 | CC1=NC2=C(O1)C=C(C=C2)NC(=O)NC3=C4C(=NC=C3)C=CC=N4 |
EOS-AX5680 | Mc-MMAE | 863971-24-8 | C49H78N6O10 | 911.18 | CC[C@]([C@@](N(C([C@](/N=C(O)/[C@](N(C(CCCCCN1C(C=CC1=O)=O)=O)C)([H])C(C)C)([H])C(C)C)=O)C)([H])[C@@](OC)([H])CC(N2CCC[C@@]2([H])[C@@](OC)([H])[C@@](/C(O)=N/[C@]([C@](O)([H])C3=CC=CC=C3)([H])C)([H])C)=O)([H])C |
EOS-AX5681 | Y-320 | 288250-47-5 | C27H29ClN6O2 | 505.01 | CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)N5CCOCC5)C#N |
EOS-AX5682 | VGX-1027 | 6501-72-0 | C11H11NO3 | 205.21 | C1C(ON=C1C2=CC=CC=C2)CC(=O)O |
EOS-AX5683 | Ibandronate Sodium | ||||
EOS-AX5684 | Ibandronic acid | 114084-78-5 | C9H23NO7P2 | 319.23 | CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O |
EOS-AX5685 | Sulfamerazine sodium salt | 127-58-2 | C11H11N4NaO2S | 286.29 | CC1=NC(=NC=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Na+] |
EOS-AX5686 | Amikacin | 37517-28-5 | C22H43N5O13 | 585.6 | C1C(C(C(C(C1NC(=O)C(CCN)O)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)O)N |
EOS-AX5687 | Sulfathiazole sodium | 144-74-1 | C9H8N3NaO2S2 | 277.3 | C1=CC(=CC=C1N)S(=O)(=O)[N-]C2=NC=CS2.[Na+] |
EOS-AX5688 | Flavoxate hydrochloride | 3717-88-2 | C24H26ClNO4 | 427.92 | CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4.Cl |
EOS-AX5689 | Hydroxyzine | 68-88-2 | C21H27ClN2O2 | 374.9 | C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl |
EOS-AX5690 | Procaine | 59-46-1 | C13H20N2O2 | 236.31 | CCN(CC)CCOC(=O)C1=CC=C(C=C1)N |
EOS-AX5691 | Ouabain Octahydrate | 11018-89-6 | C29H44O12 | 584.65 | CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O |
EOS-AX5692 | Niclosamide monohydrate | 73360-56-2 | C13H10Cl2N2O5 | 345.13 | C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O.O |
EOS-AX5693 | Udenafil | 268203-93-6 | C25H36N6O4S | 516.66 | CCCC(C(N=C(N1)C2=C(OCCC)C=CC(S(NCCC3CCCN3C)(=O)=O)=C2)=C4C1=O)=NN4C |
EOS-AX5694 | Nicergoline | 27848-84-6 | C24H26BrN3O3 | 484.39 | CN1C=C2C[C@]3([H])[C@](C4=C2C1=CC=C4)(OC)C[C@](COC(C5=CC(Br)=CN=C5)=O)([H])CN3C |
EOS-AX5695 | Buprenorphine hydrochloride | 53152-21-9 | C29H42ClNO4 | 504.1 | |
EOS-AX5696 | Ceftibuten | 97519-39-6 | C15H14N4O6S2 | 410.42 | N=C1NC(C(/C(O)=N/[C@]([C@]2([H])N3C(C(O)=O)=CCS2)([H])C3=O)=C([H])/CC(O)=O)=CS1 |
EOS-AX5697 | Tiagabine hydrochloride | 145821-59-6 | C20H26ClNO2S2 | 412.01 | CC(C=CS1)=C1/C(C2=C(C=CS2)C)=C/CCN3CCC[C@](C(O)=O)([H])C3.Cl |
EOS-AX5698 | Triazolam | 28911-01-5 | C17H12Cl2N4 | 343.21 | |
EOS-AX5699 | Valrubicin | 56124-62-0 | C34H36F3NO13 | 723.64 | CCCCC(OCC([C@](C[C@@H]1O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](NC(C(F)(F)F)=O)C2)(O)CC(C1=C3O)=C(O)C4=C3C(C5=C(C4=O)C=CC=C5OC)=O)=O)=O |
EOS-AX5700 | Dapsone | 80-08-0 | C12H12N2O2S | 248.3 | NC1=CC=C(S(C2=CC=C(N)C=C2)(=O)=O)C=C1 |
EOS-AX5701 | Warfarin | 81-81-2 | C19H16O4 | 308.33 | CC(CC(C1=C(O)C2=CC=CC=C2OC1=O)C3=CC=CC=C3)=O |
EOS-AX5702 | Pixantrone | 144510-96-3 | C17H19N5O2 | 325.37 | NCCNC1=C(C(C2=CC=NC=C2C3=O)=O)C3=C(NCCN)C=C1 |
EOS-AX5703 | Metaxalone | 1665-48-1 | C12H15NO3 | 221.25 | CC1=CC(C)=CC(OCC(O2)CN=C2O)=C1 |
EOS-AX5704 | Etizolam | 40054-69-1 | C17H15ClN4S | 342.85 | CCC(S1)=CC2=C1N3C(C)=NN=C3CN=C2C4=CC=CC=C4Cl |
EOS-AX5705 | Midazolam hydrochloride | ||||
EOS-AX5706 | Midazolam | ||||
EOS-AX5707 | Dihydroergotamine mesylate | 6190-39-2 | C34H41N5O8S | 679.78 | C[C@@](/N=C(O)/[C@](C1)([H])C[C@]2([H])C3=C4C(C[C@@]2([H])N1C)=CNC4=CC=C3)(O5)C(N([C@]5(O)[C@]6([H])CCCN67)[C@@](C7=O)([H])CC8=CC=CC=C8)=O.CS(O)(=O)=O |
EOS-AX5708 | Balsalazide | 80573-04-2 | C17H15N3O6 | 357.32 | OC1=C(C(O)=O)C=C(/N=N/C2=CC=C(C(NCCC(O)=O)=O)C=C2)C=C1 |
EOS-AX5709 | Eicosapentaenoic Acid | 10417-94-4 | C20H30O2 | 302.45 | CC/C([H])=C([H])\C/C([H])=C([H])\C/C([H])=C([H])\C/C([H])=C([H])\C/C([H])=C([H])\CCCC(O)=O |
EOS-AX5710 | UK 14,304 | 59803-98-4 | C11H10BrN5 | 292.13 | BrC1=C(NC2=NCCN2)C=CC3=C1N=CC=N3 |
EOS-AX5711 | Rabeprazole sodium | 117976-90-6 | C18H20N3NaO3S | 381.42 | CC(C(OCCCOC)=CC=N1)=C1CS(C2=NC3=CC=CC=C3[N-]2)=O.[Na+] |
EOS-AX5712 | Rabeprazole | 117976-89-3 | C18H21N3O3S | 359.44 | CC(C(OCCCOC)=CC=N1)=C1CS(C2=NC3=CC=CC=C3N2)=O |
EOS-AX5713 | Zofenopril calcium | 81938-43-4 | C44H44CaN2O8S4 | 897.17 | C[C@](C(N1C[C@](SC2=CC=CC=C2)([H])C[C@@]1([H])C([O-])=O)=O)([H])CSC(C3=CC=CC=C3)=O.C[C@](C(N4C[C@](SC5=CC=CC=C5)([H])C[C@@]4([H])C([O-])=O)=O)([H])CSC(C6=CC=CC=C6)=O.[Ca+2] |
EOS-AX5714 | Etonogestrel | 54048-10-1 | C22H28O2 | 324.46 | CC[C@@]1([C@@]([C@]2([H])CCC3=CC(CC[C@]3([H])[C@@]42[H])=O)([H])CC[C@@]1(O)C#C)CC4=C |
EOS-AX5715 | Medroxyprogesterone | 520-85-4 | C22H32O3 | 344.49 | C[C@@](C1=CC(CC[C@]21C)=O)([H])C[C@]([C@]3([H])CC[C@]4(O)C(C)=O)([H])[C@]2([H])CC[C@@]34C |
EOS-AX5716 | Amifostine | 20537-88-6 | C5H15N2O3PS | 214.22 | NCCCNCCSP(O)(O)=O |
EOS-AX5717 | Aceclofenac | 89796-99-6 | C16H13Cl2NO4 | 354.18 | ClC1=C(NC2=CC=CC=C2CC(OCC(O)=O)=O)C(Cl)=CC=C1 |
EOS-AX5718 | Ciclesonide | 126544-47-6 | C32H44O7 | 540.69 | CC(C(OCC([C@@]12[C@@](O[C@@](O2)([H])C3CCCCC3)([H])C[C@@]4([H])[C@]([C@]5([H])[C@](O)([H])C[C@@]41C)([H])CCC6=CC(C=C[C@@]65C)=O)=O)=O)C |
EOS-AX5719 | Dextromethorphan hydrobromide | 125-69-9 | C18H26BrNO | 352.31 | CN1CC[C@@]23CCCC[C@]2([H])[C@]1([H])CC4=C3C=C(OC)C=C4.Br |
EOS-AX5720 | Moricizine | 31883-05-3 | C22H25N3O4S | 427.52 | CCO/C(O)=N/C1=CC(N(C(CCN2CCOCC2)=O)C3=CC=CC=C3S4)=C4C=C1 |
EOS-AX5721 | Mafenide Acetate | 13009-99-9 | C9H14N2O4S | 246.28 | NCC1=CC=C(S(N)(=O)=O)C=C1.CC(O)=O |
EOS-AX5722 | Mafenide | 138-39-6 | C7H10N2O2S | 186.23 | NCC1=CC=C(S(N)(=O)=O)C=C1 |
EOS-AX5723 | Lercanidipine hydrochloride | 132866-11-6 | C36H42ClN3O6 | 648.19 | CC(N1)=C(C(OC)=O)C(C(C(OC(C)(CN(CCC(C2=CC=CC=C2)C3=CC=CC=C3)C)C)=O)=C1C)C4=CC(N(=O)=O)=CC=C4.Cl |
EOS-AX5724 | Lercanidipine | 100427-26-7 | C36H41N3O6 | 611.73 | CC(N1)=C(C(OC)=O)C(C(C(OC(C)(CN(CCC(C2=CC=CC=C2)C3=CC=CC=C3)C)C)=O)=C1C)C4=CC(N(=O)=O)=CC=C4 |
EOS-AX5725 | Misoprostol | 59122-46-2 | C22H38O5 | 382.53 | CCCCC(C/C([H])=C([H])/[C@]1([H])[C@@](C(C[C@@]1([H])O)=O)([H])CCCCCCC(OC)=O)(O)C |
EOS-AX5726 | Mifamurtide | 83461-56-7 | C59H109N6O19P | 1237.5 | O=C(C)N[C@@H]1[C@@H](O[C@H](C)C(N[C@H](C(N[C@H](CCC(N[C@@H](C)C(NCCOP(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCC)=O)(O)=O)=O)=O)C(N)=O)=O)C)=O)[C@H](O)[C@@H](CO)OC1O |
EOS-AX5727 | Oxandrolone | 53-39-4 | C19H30O3 | 306.44 | |
EOS-AX5728 | Eslicarbazepine acetate | 236395-14-5 | C17H16N2O3 | 296.32 | CC(O[C@@]1([H])CC2=CC=CC=C2N(C(O)=N)C3=CC=CC=C31)=O |
EOS-AX5729 | Tiagabine | 115103-54-3 | C20H25NO2S2 | 375.55 | CC(C=CS1)=C1/C(C2=C(C=CS2)C)=C/CCN3CCC[C@](C(O)=O)([H])C3 |
EOS-AX5730 | Carmustine | 154-93-8 | C5H9Cl2N3O2 | 214.05 | ClCC/N=C(O)/N(N=O)CCCl |
EOS-AX5731 | Eptifibatide | 188627-80-7 | C35H49N11O9S2 | 831.96 | O=C([C@@](C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)([H])N([H])C([C@@](C([H])([H])C(O[H])=O)([H])N([H])C(C([H])([H])N([H])C3=O)=O)=O)N4[C@@](C(N([H])[C@@](C(N([H])[H])=O)([H])C([H])([H])SSC([H])([H])C([H])([H])C(N([H])[C@@]3([H])C([H])([H |
EOS-AX5732 | Bedaquiline fumarate | 845533-86-0 | C36H35BrN2O6 | 671.58 | CN(CC[C@@]([C@](C1=CC2=CC(Br)=CC=C2N=C1OC)([H])C3=CC=CC=C3)(O)C4=CC=CC5=CC=CC=C54)C.O=C(O)/C([H])=C([H])/C(O)=O |
EOS-AX5733 | Bedaquiline | 843663-66-1 | C31H29BrN2O | 525.5 | CN(C)CC[C@@]([C@H](C1=CC=CC=C1)C2=CC3=CC(Br)=CC=C3N=C2)(O)C4=CC=CC5=C4C=CC=C5 |
EOS-AX5734 | Iopamidol | 60166-93-0 | C17H22I3N3O8 | 777.09 | C[C@@](O)([H])/C(O)=N/C1=C(I)C(/C(O)=N/C(CO)CO)=C(I)C(/C(O)=N/C(CO)CO)=C1I |
EOS-AX5735 | Sarpogrelate hydrochloride | 135159-51-2 | C24H32ClNO6 | 465.97 | O=C(CCC(O)=O)OC(CN(C)C)COC1=CC=CC=C1CCC2=CC(OC)=CC=C2.Cl |
EOS-AX5736 | Limaprost | 74397-12-9 | C22H36O5 | 380.52 | CCCC[C@](C[C@@](O)([H])/C([H])=C([H])/[C@]1([H])[C@@](C(C[C@@]1([H])O)=O)([H])CCCC/C([H])=C([H])/C(O)=O)([H])C |
EOS-AX5737 | PPQ-102 | 931706-15-9 | C26H22N4O3 | 438.48 | CC(O1)=CC=C1C(NC2=CC=CC=C2N34)C4=C(N(C5=O)C)C(C(N5C)=O)=C3C6=CC=CC=C6 |
EOS-AX5738 | Diclofenac | 15307-86-5 | C14H11Cl2NO2 | 296.15 | ClC1=C(NC2=CC=CC=C2CC(O)=O)C(Cl)=CC=C1 |
EOS-AX5739 | Talipexole | 101626-70-4 | C10H15N3S | 209.31 | C=CCN1CCC(NC2=N)=C(S2)CC1 |
EOS-AX5740 | Sibutramine hydrochloride monohydrate | 125494-59-9 | C17H29Cl2NO | 334.32 | |
EOS-AX5741 | Sibutramine hydrochloride | 84485-00-7 | C17H27Cl2N | 316.31 | |
EOS-AX5742 | Nimorazole | 6506-37-2 | C9H14N4O3 | 226.23 | O=N(C1=CN=CN1CCN2CCOCC2)=O |
EOS-AX5743 | Mirodenafil | 862189-95-5 | C26H37N5O5S | 531.67 | CCCC(C1=C2C(O)=NC(C3=C(OCCC)C=CC(S(N4CCN(CCO)CC4)(=O)=O)=C3)=N1)=CN2CC |
EOS-AX5744 | Oxymorphone | 76-41-5 | C17H19NO4 | 301.34 | |
EOS-AX5745 | Ademetionine | 29908-03-0 | C15H22N6O5S | 398.44 | C[S+](C[C@](O1)([H])[C@](O)([H])[C@](O)([H])[C@]1([H])N2C=NC(C2=NC=N3)=C3N)CC[C@@](N)([H])C([O-])=O |
EOS-AX5746 | DUBs-IN-1 | 924296-18-4 | C20H11N5O | 337.33 | N#CC(C(C#N)=N1)=NC(C2=CC=CC=C2/3)=C1C3=N\OCC4=CC=CC=C4 |
EOS-AX5747 | DUBs-IN-2 | 924296-19-5 | C15H9N5O | 275.26 | CCO/N=C1C2=CC=CC=C2C3=C\1N=C(C(C#N)=N3)C#N |
EOS-AX5748 | DUBs-IN-3 | 924296-17-3 | C16H9N5O | 287.28 | C=CCO/N=C1C2=CC=CC=C2C3=C\1N=C(C(C#N)=N3)C#N |
EOS-AX5749 | Maribavir | 176161-24-3 | C15H19Cl2N3O4 | 376.24 | CC(/N=C1NC2=C(N\1[C@]3([H])[C@](O)([H])[C@](O)([H])[C@](O3)([H])CO)C=C(Cl)C(Cl)=C2)C |
EOS-AX5750 | Alcaftadine | 147084-10-4 | C19H21N3O | 307.39 | CN1CC/C(CC1)=C2C3=CC=CC=C3CCN4C(C=O)=CN=C/24 |
EOS-AX5751 | Cefepime Dihydrochloride Monohydrate | 123171-59-5 | C20H29Cl2N5O6S2 | 570.5 | NC1=NC(/C(C(N[C@H]2[C@]3([H])C(C(C([O-])=O)=C(C[N+]4(C)CCCC4)CS3)C2=O)=O)=N/OC)=CS1.Cl.Cl.O |
EOS-AX5752 | Fasudil | 103745-39-7 | C14H17N3O2S | 291.37 | O=S(C1=CC=CC2=CN=CC=C21)(N3CCCNCC3)=O |
EOS-AX5753 | Bilastine | 202189-78-4 | C28H37N3O3 | 463.61 | CCOCCN1C2=CC=CC=C2N=C1C(CC3)CCN3CCC4=CC=C(C(C)(C(O)=O)C)C=C4 |
EOS-AX5754 | Chlorhexidine digluconate | 18472-51-0 | C34H54Cl2N10O14 | 897.76 | ClC1=CC=C(NC(NC(NCCCCCCNC(NC(NC2=CC=C(Cl)C=C2)=N)=N)=N)=N)C=C1.OC[C@](O)([H])[C@](O)([H])[C@@](O)([H])[C@](O)([H])C(O)=O.OC[C@](O)([H])[C@](O)([H])[C@@](O)([H])[C@](O)([H])C(O)=O |
EOS-AX5755 | Vintafolide | 742092-03-1 | C86H109N21O26S2 | 1917.04 | CC[C@](C1)(O)C[C@@](CN1CCC2=C3NC4=CC=CC=C24)([H])C[C@]3(C(OC)=O)C5=C(OC)C=C(N6C)C([C@]7([C@]6([H])[C@](/C(O)=N/N=C(OCCSSC[C@@](/N=C(O)/[C@](/N=C(O)/[C@](/N=C(O)/[C@](/N=C(O)/[C@](/N=C(O)/CC[C@@](NC(C8=CC=C(NCC9=NC(C(O)=NC%10=N)=C(N%10)N=C9)C=C8)=O)([H])C( |
EOS-AX5756 | Nitisinone | 104206-65-7 | C14H10F3NO5 | 329.23 | FC(F)(F)C1=CC(N(=O)=O)=C(C(C2C(CCCC2=O)=O)=O)C=C1 |
EOS-AX5757 | Ceftaroline fosamil | 400827-46-5 | C24H25N8O10PS4 | 744.74 | |
EOS-AX5758 | 4-Aminopyridine | 504-24-5 | C5H6N2 | 94.11 | |
EOS-AX5759 | Tafamidis | 594839-88-0 | C14H7Cl2NO3 | 308.12 | ClC1=CC(Cl)=CC(C2=NC3=C(O2)C=C(C(O)=O)C=C3)=C1 |
EOS-AX5760 | Acetaminophen | 103-90-2 | C8H9NO2 | 151.16 | C/C(O)=N/C1=CC=C(O)C=C1 |
EOS-AX5761 | Tafluprost | 209860-87-7 | C25H34F2O5 | 452.53 | CC(OC(CCC/C([H])=C([H])\C[C@]([C@](O)([H])C[C@@]1([H])O)([H])[C@@]1([H])/C([H])=C([H])/C(F)(F)COC2=CC=CC=C2)=O)C |
EOS-AX5762 | Taltirelin | 103300-74-9 | C17H23N7O5 | 405.41 | CN(C(O)=N1)C(C[C@@]1([H])/C(O)=N/[C@@](C(N2CCC[C@@]2([H])C(O)=N)=O)([H])CC3=CN=CN3)=O |
EOS-AX5763 | Ramosetron Hydrochloride | 132907-72-3 | C17H18ClN3O | 315.8 | CN1C=C(C([C@]2([H])CCC(N=CN3)=C3C2)=O)C4=CC=CC=C41.Cl |
EOS-AX5764 | Telithromycin | 191114-48-4 | C43H65N5O10 | 812 | CC[C@](O1)([H])[C@@]2([C@](N(C(O2)=O)CCCCN(C=N3)C=C3C4=CN=CC=C4)([H])[C@@](C([C@](C[C@]([C@@](O[C@@]5([H])[C@@](O)([H])[C@](N(C)C)([H])C[C@@](O5)([H])C)([H])[C@@](C([C@@](C1=O)([H])C)=O)([H])C)(OC)C)([H])C)=O)([H])C)C |
EOS-AX5765 | Iohexol | 66108-95-0 | C19H26I3N3O9 | 821.14 | CC(N(C1=C(I)C(/C(O)=N/CC(O)CO)=C(I)C(/C(O)=N/CC(O)CO)=C1I)CC(O)CO)=O |
EOS-AX5766 | Ceftazidime | 72558-82-8 | C22H22N6O7S2 | 546.58 | CC(C([O-])=O)(O/N=C(\C(O)=N\[C@]([C@]1([H])N2C(C(O)=O)=C(CS1)C[N+]3=CC=CC=C3)([H])C2=O)C(N4)=CSC4=N)C |
EOS-AX5767 | Trandolapril | 87679-37-6 | C24H34N2O5 | 430.54 | O=C([C@@H](N[C@H](C(OCC)=O)CCC1=CC=CC=C1)C)N2[C@H](C(O)=O)C[C@@]3([H])CCCC[C@@]32[H] |
EOS-AX5768 | Cabergoline | 81409-90-7 | C26H37N5O2 | 451.6 | C=CCN1[C@@]2([H])[C@](C3=C4C(C2)=CNC4=CC=C3)([H])C[C@@H](C(N(C(NCC)=O)CCCN(C)C)=O)C1 |
EOS-AX5769 | Tetrabenazine | 58-46-8 | C19H27NO3 | 317.42 | CC(CC1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1=O)C |
EOS-AX5770 | GS-9973 | 1229208-44-9 | C23H21N7O | 411.46 | C12=NC=CN1C=C(C3=CC=C(C=NN4)C4=C3)N=C2NC5=CC=C(N6CCOCC6)C=C5 |
EOS-AX5771 | CGP 57380 | 522629-08-9 | C11H9FN6 | 244.23 | FC1=CC=C(C=C1)NC2=NNC3=C2C(N)=NC=N3 |
EOS-AX5772 | PFK-015 | 4382-63-2 | C17H12N2O | 260.29 | O=C(C1=CC=NC=C1)/C([H])=C([H])/C2=NC3=CC=CC=C3C=C2 |
EOS-AX5773 | Omaveloxolone (RTA-408) | 1474034-05-3 | C33H44F2N2O3 | 554.71 | |
EOS-AX5774 | CDDO-EA | 932730-51-3 | C33H46N2O3 | 518.73 | CC/N=C(O)/[C@]1(CC[C@]23C)CCC(C)(C[C@@]1([H])[C@@]2([H])C(C=C4[C@@](C=C(C5=O)C#N)([C@@](C(C)5C)([H])CC[C@]43C)C)=O)C |
EOS-AX5775 | Nedocromil | 69049-73-6 | C19H17NO7 | 371.34 | CCCC1=C2C(C(C=C(N2CC)C(O)=O)=O)=CC3=C1OC(C(O)=O)=CC3=O |
EOS-AX5776 | Tacrolimus monohydrate | 109581-93-3 | C44H71NO13 | 822.03 | C=CC[C@](C(C[C@@](O)([H])[C@@]([C@@](O1)([H])/C(C)=C([H])/[C@]2([H])CC[C@](O)([H])[C@@](OC)([H])C2)([H])C)=O)([H])/C([H])=C(C[C@](C[C@@](OC)([H])[C@](O3)([H])[C@](OC)([H])C[C@@]([C@]3(O)C(C(N4CCCC[C@@]4([H])C1=O)=O)=O)([H])C)([H])C)\C.O |
EOS-AX5777 | S186 | 97759-16-5 | C5H10CaNNaO7P2 | 321.15 | CCC(P([O-])([O-])=O)(P(O)(O)=O)/N=C([O-])/C.[Ca+2].[Na+] |
EOS-AX5778 | Apilimod | 541550-19-0 | C23H26N6O2 | 418.49 | CC1=CC(/C([H])=N/NC2=CC(N3CCOCC3)=NC(OCCC4=CC=CC=N4)=N2)=CC=C1 |
EOS-AX5779 | Apilimod mesylate | 870087-36-8 | C25H34N6O8S2 | 610.7 | CC1=CC(/C([H])=N/NC2=CC(N3CCOCC3)=NC(OCCC4=CC=CC=N4)=N2)=CC=C1.CS(O)(=O)=O.CS(O)(=O)=O |
EOS-AX5780 | TRO 19622 | 22033-87-0 | C27H45NO | 399.65 | CC(CCC[C@@]([C@@]1([H])CC[C@@]2([H])[C@]([C@]3([H])CC[C@]12C)([H])CCC4=C/C(CC[C@@]43C)=N/O)([H])C)C |
EOS-AX5781 | ATB-346 | 1226895-20-0 | C21H19NO3S | 365.45 | COC1=CC=C2C(C=CC(C(C)C(OC3=CC=C(C(N)=S)C=C3)=O)=C2)=C1 |
EOS-AX5782 | CP-640186 | 591778-68-6 | C30H35N3O3 | 485.62 | O=C(N1CCOCC1)[C@]2([H])CCCN(C3CCN(C(C4=C5C=CC=CC5=CC6=CC=CC=C64)=O)CC3)C2 |
EOS-AX5783 | Kobe0065 | 436133-68-5 | C15H11ClF3N5O4S | 449.79 | ClC1=CC(NC(NNC2=C([N+]([O-])=O)C=C(C(F)(F)F)C=C2[N+]([O-])=O)=S)=CC=C1C |
EOS-AX5784 | kobe2602 | 454453-49-7 | C14H9F4N5O4S | 419.31 | FC1=CC=C(NC(NNC2=C([N+]([O-])=O)C=C(C(F)(F)F)C=C2[N+]([O-])=O)=S)C=C1 |
EOS-AX5785 | AP-III-a4 | 1177827-73-4 | C31H43FN8O3 | 594.72 | FC1=CC=C(C/N=C(N2)\N/C(N=C2NC3=CC=C(C/C(O)=N/CCOCCOCCN)C=C3)=N\CC4CCCCC4)C=C1 |
EOS-AX5786 | 5-BrdU | 59-14-3 | C9H11BrN2O5 | 307.1 | BrC(C(N1)=O)=CN(C1=O)[C@@]2([H])C[C@@](O)([H])[C@@](O2)([H])CO |
EOS-AX5787 | GSK2141795 | 1047634-65-0 | C18H16Cl2F2N4O2 | 429.25 | CN1C(C(C=C(O2)C(N[C@@](CN)([H])CC3=CC(F)=C(F)C=C3)=O)=C2Cl)=C(Cl)C=N1 |
EOS-AX5788 | GSK2141795 hydrochloride | 1047635-80-2 | C18H17Cl3F2N4O2 | 465.71 | CN1C(C(C=C(O2)C(N[C@@](CN)([H])CC3=CC(F)=C(F)C=C3)=O)=C2Cl)=C(Cl)C=N1.Cl |
EOS-AX5789 | VER-50589 | 747413-08-7 | C19H17ClN2O5 | 388.8 | CCNC(C1=NOC(C2=CC(Cl)=C(O)C=C2O)=C1C3=CC=C(OC)C=C3)=O |
EOS-AX5790 | VER-49009 | 558640-51-0 | C19H18ClN3O4 | 387.82 | CCNC(C1=C(C(C2=CC(Cl)=C(O)C=C2O)=NN1)C3=CC=C(OC)C=C3)=O |
EOS-AX5791 | BIBF 1202 | 894783-71-2 | C30H31N5O4 | 525.6 | CN1CCN(CC(N(C2=CC=C(N/C(C3=CC=CC=C3)=C(C(O)=N4)/C5=C4C=C(C(O)=O)C=C5)C=C2)C)=O)CC1 |
EOS-AX5792 | Arglabin | 84692-91-1 | C15H18O3 | 246.3 | CC1=CC[C@]23[C@@]1([H])[C@](O4)([H])[C@@](C(C4=O)=C)([H])CC[C@]2(O3)C |
EOS-AX5793 | Pasireotide | 396091-73-9 | C58H66N10O9 | 1047.21 | NCCCC[C@@](/N=C(O)/[C@@](/N=C(O)/[C@](/N=C(O)/[C@]1([H])C[C@](O/C(O)=N/CCN)([H])CN12)([H])C3=CC=CC=C3)([H])CC4=CNC5=CC=CC=C45)([H])/C(O)=N/[C@@](/C(O)=N/[C@@](C2=O)([H])CC6=CC=CC=C6)([H])CC7=CC=C(OCC8=CC=CC=C8)C=C7 |
EOS-AX5794 | Captisol | ||||
EOS-AX5795 | Cysteine Protease inhibitor | 921625-62-9 | C18H14N4O | 302.33 | NCC1=CC=C(C2=CC(OC3=NC(C#N)=NC=C3)=CC=C2)C=C1 |
EOS-AX5796 | Cysteine Protease inhibitor hydrochloride | C18H15ClN4O | 338.79 | NCC1=CC=C(C2=CC(OC3=NC(C#N)=NC=C3)=CC=C2)C=C1.Cl | |
EOS-AX5797 | PLpro inhibitor | 1093070-14-4 | C22H22N2O2 | 346.42 | CC1=C(/C(O)=N/[C@](C2=CC=CC3=CC=CC=C32)([H])C)C=C(/N=C(O)/C)C=C1 |
EOS-AX5798 | Demeclocycline hydrochloride | 64-73-3 | C21H22Cl2N2O8 | 501.31 | CN([C@@]1([H])[C@]2([H])C[C@@]([C@@](O)([H])C3=C(Cl)C=CC(O)=C3C4=O)([H])C4=C(O)[C@]2(O)C(C(C(O)=N)=C1O)=O)C.Cl |
EOS-AX5799 | Heparin | 9005-49-6 | C26H42N2O37S5 | 1134.93 | CC(NC1C(O)C(OC2C(OS(=O)(O)=O)C(O)C(OC3C(NS(=O)(O)=O)C(OS(=O)(O)=O)C(OC4C(OS(=O)(O)=O)C(O)C(O)C(C(O)=O)O4)C(CO)O3)C(C(O)=O)O2)C(COS(=O)(O)=O)OC1O)=O |
EOS-AX5800 | Nonivamide | 2444-46-4 | C17H27NO3 | 293.4 | CCCCCCCC/C(O)=N/CC1=CC(OC)=C(O)C=C1 |
EOS-AX5801 | Desoximetasone | 382-67-2 | C22H29FO4 | 376.46 | C[C@]([C@]1([H])C(CO)=O)([H])C[C@@]([C@](C[C@@](O)([H])[C@@]23F)1C)([H])[C@]2([H])CCC4=CC(C=C[C@@]43C)=O |
EOS-AX5802 | GNE-7915 | 1351761-44-8 | C19H21F4N5O3 | 443.4 | CCNC1=C(C(F)(F)F)C=NC(NC2=CC(F)=C(C(N3CCOCC3)=O)C=C2OC)=N1 |
EOS-AX5803 | GNE-7915 tosylate | C26H29F4N5O6S | 615.6 | CC/N=C(N1)\C(C(F)(F)F)=CN=C1NC2=C(OC)C=C(C(N3CCOCC3)=O)C(F)=C2.CC4=CC=C(S(O)(=O)=O)C=C4 | |
EOS-AX5804 | A939572 | 1032229-33-6 | C20H22ClN3O3 | 387.86 | CNC(C1=CC(NC(N2CCC(OC3=CC=CC=C3Cl)CC2)=O)=CC=C1)=O |
EOS-AX5805 | Crizotinib hydrochloride | 1415560-69-8 | C21H23Cl3FN5O | 486.8 | C[C@](OC(C=C(C(C=N1)=CN1C2CCNCC2)C=N3)=C3N)([H])C4=C(Cl)C=CC(F)=C4Cl.Cl |
EOS-AX5806 | Poloxime | 17302-61-3 | C10H13NO2 | 179.22 | CC(C1=C/C(C(C)=CC1=O)=N/O)C |
EOS-AX5807 | Clofibrate | 637-07-0 | C12H15ClO3 | 242.7 | ClC1=C([H])C([H])=C(C([H])=C1[H])OC(C([H])([H])[H])(C(OC([H])([H])C([H])([H])[H])=O)C([H])([H])[H] |
EOS-AX5808 | Moxidectin | 113507-06-5 | C37H53NO8 | 639.82 | CC(/C([H])=C([C@](O1)([H])[C@@](/C(C[C@@]21C[C@](O3)([H])C[C@@](O2)([H])C/C([H])=C(C[C@@](/C([H])=C([H])/C([H])=C([C@@]45O)\CO[C@]5([H])[C@@](O)([H])C(C)=C[C@@]4([H])C3=O)([H])C)\C)=N\OC)([H])C)\C)C |
EOS-AX5809 | Veratramine | 60-70-8 | C27H39NO2 | 409.6 | C[C@@](CN1)([H])C[C@](O)([H])[C@]1([H])[C@@](C(C=CC2=C3C[C@@]4([H])[C@@]2([H])CC=C5C[C@](O)([H])CC[C@@]54C)=C3C)([H])C |
EOS-AX5810 | Cephalotaxlen | 24316-19-6 | C18H21NO4 | 315.36 | COC1=C[C@]23CCCN2CCC4=CC(OCO5)=C5C=C4[C@]3([H])[C@]1([H])O |
EOS-AX5811 | Quillaic acid | 631-01-6 | C30H46O5 | 486.68 | CC1(CC[C@@]([C@@](O)([H])C[C@]23C)(C(O)=O)[C@@](C2=CC[C@]4([H])[C@@](CC[C@@](O)([H])[C@]5(C=O)C)([C@@]5([H])CC[C@]43C)C)([H])C1)C |
EOS-AX5812 | Bruceantin | 41451-75-6 | C28H36O11 | 548.58 | CC(/C(C)=C([H])/C(O[C@]1([H])[C@]2([H])[C@@]34CO[C@]2(C(OC)=O)[C@](O)([H])[C@@](O)([H])[C@]3([H])[C@@](CC5=O)([C@@](C(C)=C5O)([H])C[C@@]4([H])OC1=O)C)=O)C |
EOS-AX5813 | Bruceine A | 25514-31-2 | C26H34O11 | 522.54 | CC(CC(O[C@]1([H])[C@]2([H])[C@@]34CO[C@]2(C(OC)=O)[C@](O)([H])[C@@](O)([H])[C@]3([H])[C@@](CC5=O)([C@@](C(C)=C5O)([H])C[C@@]4([H])OC1=O)C)=O)C |
EOS-AX5814 | Bevirimat | 174022-42-5 | C36H56O6 | 584.83 | C=C([C@]([C@]12[H])([H])CC[C@]2(C(O)=O)CC[C@@]3([C@]1([H])CC[C@]4([H])[C@]5(CC[C@@](OC(CC(C)(C(O)=O)C)=O)([H])C(C)([C@]5([H])CC[C@]43C)C)C)C)C |
EOS-AX5815 | Kauniolide | 81066-45-7 | C15H18O2 | 230.3 | CC(CC[C@@]1([H])C2=C)=C3CC=C([C@]3([H])[C@@]1([H])OC2=O)C |
EOS-AX5816 | Mesatlantin C | 137624-14-7 | C15H18O3 | 246.3 | CC1=CC[C@]23[C@@]1([H])[C@](O4)([H])[C@@](C(C4=O)=C)([H])CC[C@]2(O3)C |
EOS-AX5817 | Micheliolide | 68370-47-8 | C15H20O3 | 248.32 | CC(CC[C@@]1([H])C2=C)=C([C@@]3([H])[C@@]1([H])OC2=O)CC[C@]3(O)C |
EOS-AX5818 | Atosiban | 90779-69-4 | C43H67N11O12S2 | 994.19 | |
EOS-AX5819 | (+)-Usniacin | 7562-61-0 | C18H16O7 | 344.32 | CC1=C(C(=C2C(=C1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O |
EOS-AX5820 | Artesunate | 88495-63-0 | C19H28O8 | 384.42 | O=C(CCC(O)=O)O[C@H]1O[C@@H]2O[C@@]3(C)OO[C@]42[C@@H](CC3)[C@H](C)CC[C@H]4[C@H]1C |
EOS-AX5821 | Azomycin | 527-73-1 | C3H3N3O2 | 113.07 | [O-][N+](C1=NC=CN1)=O |
EOS-AX5822 | Cinchonidine | 485-71-2 | C19H22N2O | 294.39 | O[C@H](C1=CC=NC2=CC=CC=C12)[C@H]3[N@@]4C[C@@H](C=C)[C@@H](CC4)C3 |
EOS-AX5823 | Grape Seed Extract | 84929-27-1 | N/A | O[C@H]([C@H](C(C=C1)=CC=C1O)OC2=CC(O)=CC(O)=C32)[C@@H]3C(C(O[C@H]4C(C=C5O)=CC(O)=C5OC)=C(C(O)=C6)C[C@@H]4O)=C6O | |
EOS-AX5824 | Gynostemma Extract | 80321-63-7 | C48H82O18 | 917.13 | O[C@H]1[C@H]([C@@H]([C@@](CC/C=C(C)/C)(C)O[C@@H]([C@@H]([C@H]2O)O)O[C@H](CO[C@@H]([C@@H]([C@H]3O)O)OC[C@H]3O)[C@H]2O)CC4)[C@]4(C)[C@@]5(C)[C@H](C1)[C@](CC6)(C)[C@H](C(C)(C)[C@H]6O[C@@H]([C@@H]([C@H]7O)O)O[C@H](CO)[C@H]7O)CC5 |
EOS-AX5825 | Indole-3-carbinol | 700-06-1 | C9H9NO | 147.18 | OCC1=CNC2=CC=CC=C12 |
EOS-AX5826 | Sodium Monensin | 22373-78-0 | C36H61NaO11 | 692.85 | O[C@H]1C[C@]2(O[C@H]([C@H](C)[C@@H]([C@@H](C([O-])=O)C)OC)[C@@H]1C)O[C@@](CC2)(C)[C@@H]3O[C@](CC3)(CC)[C@H]4O[C@H]([C@H]([C@@H](C)C[C@H]5C)O[C@]5(CO)O)C[C@H]4C.[Na+] |
EOS-AX5827 | Sapogenins Glycosides | 8047-15-2 | C55H86O24 | 1131.26 | CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C |
EOS-AX5828 | Tetrahydropapaverine HCl | 6429-04-5 | C20H25NO4.HCl | 379.88 | COC(C=C1[C@@H](CC(C=C2OC)=CC=C2OC)NCCC1=C3)=C3OC.Cl |
EOS-AX5829 | Hematoxylin | 517-28-2 | C16H14O6 | 302.28 | O[C@](CC1=C2)(COC3=C4C=CC(O)=C3O)[C@@H]4C1=CC(O)=C2O |
EOS-AX5830 | Indirubin | 479-41-4 | C16H10N2O2 | 262.26 | O=C1/C(NC2=CC=CC=C21)=C3C4=CC=CC=C4NC\3=O |
EOS-AX5831 | Ipriflavone (Osteofix) | 35212-22-7 | C18H16O3 | 280.32 | O=C1C(C(OC=C1C2=CC=CC=C2)=C3)=CC=C3OC(C)C |
EOS-AX5832 | Hypoxanthine | 68-94-0 | C5H4N4O | 136.11 | O=C1N=CNC2=C1NC=N2 |
EOS-AX5833 | Apocynin | 498-02-2 | C9H10O3 | 166.17 | OC1=CC=C(C(C)=O)C=C1OC |
EOS-AX5834 | Rotundine | 483-14-7 | C21H25NO4 | 355.43 | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC |
EOS-AX5835 | Inosine | 58-63-9 | C10H12N4O5 | 268.23 | O[C@H]1[C@H](N2C(NC=NC3=O)=C3N=C2)O[C@H](CO)[C@H]1O |
EOS-AX5836 | Guanosine Hydrate | 1143525-19-2 | C10H13N5O5.H2O | 301.26 | O[C@H]1[C@H](N2C(NC(N)=NC3=O)=C3N=C2)O[C@H](CO)[C@H]1O.O |
EOS-AX5837 | Vanillin | 121-33-5 | C8H8O3 | 152.15 | OC1=C(C=C(C=O)C=C1)OC |
EOS-AX5838 | Griseofulvin | 126-07-8 | C17H17ClO6 | 352.77 | ClC(C(O[C@]1(C(OC)=C2)[C@H](C)CC2=O)=C(C(OC)=C3)C1=O)=C3OC |
EOS-AX5839 | Cyromazine | 66215-27-8 | C6H10N6 | 166.18 | NC1=NC(NC2CC2)=NC(N)=N1 |
EOS-AX5840 | DMH-1 | 1206711-16-1 | C24H20N4O | 380.44 | CC(C)OC1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=CC=NC5=CC=CC=C45)N=C2 |
EOS-AX5841 | LDN-212854 | 1432597-26-6 | C25H22N6 | 406.48 | C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=C6C=CC=NC6=CC=C5)N=C3 |
EOS-AX5842 | ML347 | 1062368-49-3 | C22H16N4O | 352.39 | COC1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=C5C=CC=NC5=CC=C4)N=C2 |
EOS-AX5843 | 1-Azakenpaullone | 676596-65-9 | C15H10BrN3O | 328.16 | C1C2=C(C3=C(C=CC=N3)NC1=O)NC4=C2C=C(C=C4)Br |
EOS-AX5844 | (Z)-Pugnac | 132489-69-1 | C15H19N3O7 | 353.33 | CC(=O)NC1C(C(C(OC1=NOC(=O)NC2=CC=CC=C2)CO)O)O |
EOS-AX5845 | GlcNAcstatin | 922163-64-2 | C20H27N3O4 | 373.45 | CC(C)C(=O)NC1C(C(C(N2C1=NC(=C2)CCC3=CC=CC=C3)CO)O)O |
EOS-AX5846 | NMS-E973 | 1253584-84-7 | C22H22N4O7 | 454.43 | CN1CCC(CC1)NC(=O)C2=CC(=C3C(=CC(=O)C=C3OC4=CC=C(C=C4)[N+](=O)[O-])O)ON2 |
EOS-AX5847 | K-Ras(G12C) inhibitor 6 | C17H22Cl2N2O3S | 405.34 | C1CN(CCC1NC(=O)CCCS)C(=O)COC2=C(C=C(C=C2)Cl)Cl | |
EOS-AX5848 | (Arg)9 peptide | 143413-47-2 | C54H110N36O10 | 1423.69 | C(CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)N)CN=C(N)N |
EOS-AX5849 | 4EGI-1 | 315706-13-9 | C18H12Cl2N4O4S | 451.28 | C1=CC=C(C(=C1)CC(=NNC2=NC(=CS2)C3=CC(=C(C=C3)Cl)Cl)C(=O)O)[N+](=O)[O-] |
EOS-AX5850 | 4E1RCat | 328998-25-0 | C28H18N2O6 | 478.45 | C1=CC=C(C=C1)C2=CC(=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N2C5=CC=C(C=C5)C(=O)O |
EOS-AX5851 | Microcystin-LR | 101043-37-2 | C49H74N10O12 | 995.17 | CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C |
EOS-AX5852 | ISRIB (trans-isomer) | 1597403-47-8 | C22H24Cl2N2O4 | 451.34 | C1CC(CCC1NC(=O)COC2=CC=C(C=C2)Cl)NC(=O)COC3=CC=C(C=C3)Cl |
EOS-AX5853 | FH1(BRD-K4477) | 2719-05-3 | C17H18N2O2 | 282.34 | CC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)C |
EOS-AX5854 | FPH1 (BRD-6125) | 708219-39-0 | C16H15ClF2N2O3S | 388.82 | CC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=C(C=CC=C2F)F)S(=O)(=O)C |
EOS-AX5855 | MSDC-0160 | 146062-49-9 | C19 H18 N2 O4 S | 370.42 | CCC1=CN=C(C=C1)C(=O)COC2=CC=C(C=C2)CC3C(=O)NC(=O)S3 |
EOS-AX5856 | LB42708 | 226929-39-1 | C30H27BrN4O2 | 555.46 | C1COCCN1C(=O)C2=CN(C=C2C3=CC=CC4=CC=CC=C43)CC5=CN=CN5CC6=CC=C(C=C6)Br |
EOS-AX5857 | Nexturastat A | 1403783-31-2 | C19 H23 N3 O3 | 341.4 | CCCCN(CC1=CC=C(C=C1)C(=O)NO)C(=O)NC2=CC=CC=C2 |
EOS-AX5858 | YYA-021 | 144217-65-2 | C18 H27 N3 O2 | 317.43 | CC1=CC=C(C=C1)NC(=O)C(=O)NC2CC(NC(C2)(C)C)(C)C |
EOS-AX5859 | MPI-0479605 | 1246529-32-7 | C22H29N7O | 407.51 | CC1=C(C=CC(=C1)N2CCOCC2)NC3=NC4=C(C(=N3)NC5CCCCC5)NC=N4 |
EOS-AX5860 | ML167 | 1285702-20-6 | C19H17N3O3 | 335.36 | CC1=CC=C(O1)CNC2=NC=NC3=C2C=C(C=C3)C4=CC=C(O4)CO |
EOS-AX5861 | RGD (Arg-Gly-Asp) Peptides | 99896-85-2 | C12H22N6O6 | 346.34 | C(CC(C(=O)NCC(=O)NC(CC(=O)O)C(=O)O)N)CN=C(N)N |
EOS-AX5862 | Midostaurin (PKC412) | 120685-11-2 | C35H30N4O4 | 570.64 | CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC |
EOS-AX5863 | Chlorambucil | 305-03-3 | C14H19Cl2NO2 | 304.21 | ClCCN(CCCl)C(C=C1)=CC=C1CCCC(O)=O |
EOS-AX5864 | Goserelin Acetate | 65807-02-5 | C59H84N18O14 | 1269.41 | |
EOS-AX5865 | Porfimer Sodium | 97067-70-4 | C68H74N8O11 | 1179.36 | |
EOS-AX5866 | Thio-TEPA | 52-24-4 | C6H12N3PS | 189.22 | S=P(N1CC1)(N2CC2)N3CC3 |
EOS-AX5867 | Roquinimex | 84088-42-6 | C18H16N2O3 | 308.33 | |
EOS-AX5868 | Satraplatin | 129580-63-8 | C10H20Cl2N2O4Pt | 498.27 | |
EOS-AX5869 | Talabostat mesylate | 150080-09-4 | C10H23BN2O6S | 310.18 | OS(=O)(C)=O.O=C([C@H](C(C)C)N)N1[C@H](B(O)O)CCC1 |
EOS-AX5870 | NMS-1286937 | 1034616-18-6 | C24H27F3N8O3 | 532.52 | |
EOS-AX5871 | Caspase-8 Inhibitor Z-IETD-FMK | C30H43FN4O11 | 654.68 | CCC(C(/N=C(OCC1=CC=CC=C1)\O)/C(O)=N/C(/C(O)=N/C(/C(O)=N/C(C(CF)=O)CC(OC)=O)C(O)C)CCC(OC)=O)C | |
EOS-AX5872 | 4SC-202 | 1186222-89-8 | C30H29N5O6S2 | 619.71 | |
EOS-AX5873 | AT13148 | 1056901-62-2 | C17H16ClN3O | 313.78 | ClC1=CC=C(C=C1)[C@@](C2=CC=C(C3=CNN=C3)C=C2)(CN)O |
EOS-AX5874 | AP1903 intermediate | C38H47NO11 | 693.78 | ||
EOS-AX5875 | AP1903 | 195514-63-7 | C78H98N4O20 | 1411.63 | O=C([C@@H](C(C=C1OC)=CC(OC)=C1OC)CC)N2[C@H](C(O[C@@H](C3=CC=CC(OCC(NCCNC(COC4=CC([C@H](CCC(C=C5OC)=CC=C5OC)OC([C@H]6N(C([C@@H](C(C=C7OC)=CC(OC)=C7OC)CC)=O)CCCC6)=O)=CC=C4)=O)=O)=C3)CCC(C=C8)=CC(OC)=C8OC)=O)CCCC2 |
EOS-AX5876 | |||||
EOS-AX5877 | UNC2881 | 1493764-08-1 | C25H33N7O2 | 463.58 | O[C@H]1CC[C@H](CC1)NC2=NC(NCCCC)=NC=C2C(NCC(C=C3)=CC=C3N4C=CN=C4)=O |
EOS-AX5878 | HS-173 | 1276110-06-5 | C21H18N4O4S | 422.46 | O=S(NC1=CN=CC(C(C=C2)=CN3C2=NC=C3C(OCC)=O)=C1)(C4=CC=CC=C4)=O |
EOS-AX5879 | CH5138303 | 959763-06-5 | C19 H18 Cl N5 O2 S | 415.9 | ClC1=C(C2=NC(N)=NC(SCCCC(N)=O)=N2)C3=CC=CC4=C3C(COC4)=C1 |
EOS-AX5880 | β-Estradiol - d3 | 79037-37-9 | C18H21D3O2 | 275.4 | O[C@@]1([2H])C([2H])([2H])C[C@]2([H])[C@]1(C)CC[C@@](C3=CC=C(O)C=C3CC4)([H])[C@]24[H] |
EOS-AX5881 | Caspase-9 Inhibitor Z-LEHD-FMK | C32H43FN6O10 | 690.72 | CC(CC(/N=C(OCC1=CC=CC=C1)\O)/C(O)=N/C(/C(O)=N/C(/C(O)=N/C(C(CF)=O)CC(OC)=O)CC2=CN=CN2)CCC(OC)=O)C | |
EOS-AX5882 | AL 8810 | 246246-19-5 | C24H31FO4 | 402.5 | F[C@H]1C[C@H](O)[C@H](C/C=C\CCCC(O)=O)[C@H]1/C=C/[C@H](O)C2CC3=CC=CC=C3C2 |
EOS-AX5883 | Emricasan | 254750-02-2 | C26H27F4N3O7 | 569.5 | |
EOS-AX5884 | Losmapimod | 585543-15-3 | C22H26FN3O2 | 383.46 | FC1=C(C)C(C(C=C2)=NC=C2C(NCC(C)(C)C)=O)=CC(C(NC3CC3)=O)=C1 |
EOS-AX5885 | |||||
EOS-AX5886 | GNE0877 | 1374828-69-9 | C14H16F3N7 | 339.32 | FC(F)(C1=CN=C(N=C1NC)NC2=CN(C(C)(C#N)C)N=C2C)F |
EOS-AX5887 | AZD1283 | 919351-41-0 | C23H26N4O5S | 470.54 | |
EOS-AX5888 | CZC-25146 | 1191911-26-8 | C22H25FN6O4S | 488.54 | COC1=C(NC2=NC=C(F)/C(N2)=N\C3=CC=CC=C3NS(C)(=O)=O)C=CC(N4CCOCC4)=C1 |
EOS-AX5889 | BV6 | 1001600-56-1 | C70H96N10O8 | 1205.57 | O=C(CCCCCCCNC([C@@H](NC([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)CCC1)=O)CO=C(NCCCCCCNC([C@@H](NC([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)CCC1)=O)C(C3=CC=CC=C3)C4=CC=CC=C4)=O)[C@@H](NC([C@H]5N(C([C@H](C6CCCCC6)NC([C@H](C)NC)=O)=O)CCC5)=O)C(C7=CC= |
EOS-AX5890 | AM580 | 102121-60-8 | C22H25NO3 | 351.44 | O=C(C1=CC=C2C(C)(C)CCC(C)(C)C2=C1)NC3=CC=C(C(O)=O)C=C3 |
EOS-AX5891 | BMS-345541(free base) | 445430-58-0 | C14H17N5 | 255.32 | NCCNC1=NC2=CC=C(C)C=C2N3C1=NC=C3C |
EOS-AX5892 | Neuropathiazol | 880090-88-0 | C19H18N2O2S | 338.42 | |
EOS-AX5893 | EG00229 | 1210945-69-9 | C19H20F3N7O7S3 | 611.6 | N=C(NCCC[C@@](/N=C(O)/C1=C(NS(C2=CC=CC3=NSN=C32)(=O)=O)C=CS1)([H])C(O)=O)N.FC(F)(F)C(O)=O |
EOS-AX5894 | LY451395 | 375345-95-2 | C21H30N2O4S2 | 438.6 | |
EOS-AX5895 | TH-237A | 935467-97-3 | C18H17F2NO3 | 333.33 | FC1=CC=C([C@@]2([H])N([C@](CO2)(CO3)CO)[C@@]3([H])C4=CC=C(F)C=C4)C=C1 |
EOS-AX5896 | PI-3065 | 955977-50-1 | C27H31FN6OS | 506.64 | FC(C=CC1=C2C=CN1)=C2C3=NC4=C(SC(CN5CCN(CC6CC6)CC5)=C4)C(N7CCOCC7)=N3 |
EOS-AX5897 | GBR 12935 dihydrochloride | 67469-81-2 | C28H36Cl2N2O | 487.5 | |
EOS-AX5898 | GBR 12935 | 76778-22-8 | C28H34N2O | 414.58 | |
EOS-AX5899 | XEN445 | 1515856-92-4 | C18H17F3N2O3 | 366.33 | FC(F)(F)C1=CC(C(O)=O)=C(N2CC[C@@](OCC3=CC=CC=N3)([H])C2)C=C1 |
EOS-AX5900 | T-5224 | 530141-72-1 | C29H27NO8 | 517.53 | O=C1NOC2=CC(COC(C=CC(C(C3=C(O)C=C(OC4CCCC4)C=C3)=O)=C5)=C5CCC(O)=O)=CC=C12 |
EOS-AX5901 | CDK7-IN-1 | 1604810-84-5 | C31H28ClN7O2 | 566.05 | CN(C/C([H])=C([H])/C(O)=N/C1=CC=CC(/C(O)=N/C2=CC(NC3=NC=C(Cl)C(C4=CNC5=CC=CC=C45)=N3)=CC=C2)=C1)C |
EOS-AX5902 | Impurity C of Calcitriol | 86307-44-0 | C35H49N3O5 | 591.78 | |
EOS-AX5903 | Impurity C of Alfacalcidol | 82266-85-1 | C35H49N3O4 | 575.78 | |
EOS-AX5904 | Afobazole | 173352-21-1 | C15H21N3O2S | 307.41 | |
EOS-AX5905 | Vidofludimus | 717824-30-1 | C20H18FNO4 | 355.36 | FC1=CC(C2=CC=CC(OC)=C2)=CC=C1NC(C3=C(C(O)=O)CCC3)=O |
EOS-AX5906 | Impurity of Calcipotriol | 910133-69-6 | C39H68O3Si2 | 641.13 | |
EOS-AX5907 | APD668 | 832714-46-2 | C21H24FN5O5S | 477.51 | |
EOS-AX5908 | INT-777 | 1199796-29-6 | C27H46O5 | 450.65 | |
EOS-AX5909 | Dobutamine hydrochloride | 49745-95-1 | C18H24ClNO3 | 337.84 | |
EOS-AX5910 | HG-14-10-04 | 1356962-34-9 | C29H34ClN7O | 532.08 | CN1CCN(C2CCN(C3=CC(OC)=C(NC4=NC=C(Cl)C(C5=CNC6=CC=CC=C56)=N4)C=C3)CC2)CC1 |
EOS-AX5911 | GW311616 | 198062-54-3 | C19H31N3O4S | 397.53 | |
EOS-AX5912 | GW311616 hydrochloride | 197890-44-1 | C19H32ClN3O4S | 433.99 | CC([C@@](C1=O)([H])[C@@]2([H])[C@@](N1S(C)(=O)=O)([H])CCN2C(/C([H])=C([H])/CN3CCCCC3)=O)C.Cl |
EOS-AX5913 | NVP-CGM097 | 1313363-54-0 | C38H47ClN4O4 | 659.26 | CC(OC(C=C1[C@]2([H])C3=CC=C(Cl)C=C3)=C(OC)C=C1CC(N2C4=CC=C(N(C[C@@]5([H])CC[C@@](N(CC6=O)CCN6C)([H])CC5)C)C=C4)=O)C |
EOS-AX5914 | CPI-169 | 1450655-76-1 | C27H36N4O5S | 528.66 | CCS(N1CCC([C@@](N2C(C)=C(/C(O)=N/CC(C(O)=N3)=C(OC)C=C3C)C4=CC=CC=C42)([H])C)CC1)(=O)=O |
EOS-AX5915 | CPI-169 R-enantiomer | 1802175-07-0 | C27H36N4O5S | 528.66 | CCS(N1CCC([C@@](N2C(C)=C(/C(O)=N/CC(C(O)=N3)=C(OC)C=C3C)C4=CC=CC=C42)([H])C)CC1)(=O)=O |
EOS-AX5916 | CPI-169 S-enantiomer | C27H36N4O5S | 528.66 | ||
EOS-AX5917 | Antitumor Compound 1 | 420126-30-3 | C18H10F6N4S | 428.35 | FC(F)(F)C1=CC=C(NC2=NC(C3=C(N=C4C=CC=CN43)C(F)(F)F)=CS2)C=C1 |
EOS-AX5918 | UM729 | ||||
EOS-AX5919 | VT-464 | 1610537-15-9 | C18H17F4N3O3 | 399.34 | CC([C@](C1=CN=NN1)(O)C2=CC=C3C=C(OC(F)F)C(OC(F)F)=CC3=C2)C |
EOS-AX5920 | VT-464 R enantiomer | C18H17F4N3O3 | 399.34 | CC([C@@](C1=CN=NN1)(O)C2=CC=C3C=C(OC(F)F)C(OC(F)F)=CC3=C2)C | |
EOS-AX5921 | VT-464 racemate | 1375603-36-3 | C18H17F4N3O3 | 399.34 | CC(C(C1=CN=NN1)(O)C2=CC=C3C=C(OC(F)F)C(OC(F)F)=CC3=C2)C |
EOS-AX5922 | TAPI-1 | 171235-71-5 | C26H37N5O5 | 499.6 | NCCNC([C@@H](C)NC([C@H](NC(C(CC(C)C)CC(NO)=O)=O)CC1=CC2=CC=CC=C2C=C1)=O)=O |
EOS-AX5923 | iCRT 14 | 677331-12-3 | C21H17N3O2S | 375.44 | |
EOS-AX5924 | 3CAI | 28755-03-5 | C10H8ClNO | 193.63 | ClCC(C1=CNC2=CC=CC=C21)=O |
EOS-AX5925 | HLM006474 | 353519-63-8 | C25H25N3O2 | 399.48 | CCOC1=CC=C(C(NC2=CC=CC=N2)C3=C(O)C4=C(C=C3)C=CC(C)=N4)C=C1C |
EOS-AX5926 | Tyrphostin A1 | 2826-26-8 | C11H8N2O | 184.19 | |
EOS-AX5927 | Mcl1-IN-1 | 713492-66-1 | C23H18ClN3O4 | 435.86 | ClC1=C2C=CC=NC2=C(O)C(C(NC3=CC=CC=N3)C4=CC=CC=C4OCC(O)=O)=C1 |
EOS-AX5928 | Dafadine-A | 1065506-69-5 | C23H25N3O3 | 391.46 | |
EOS-AX5929 | AVX 13616 | 900814-48-4 | C50H71N7O7 | 882.14 | CC(CCOC1=C(C2=C(OC/C(O)=N/[C@](/C(O)=N/[C@](/C(O)=N/[C@@](C(OCCC(C)C)=O)([H])CC(C)C)([H])CCCNC(N)=N)([H])CCCCN)C=CC3=CC=CC=C32)C4=CC=CC=C4C=C1)C |
EOS-AX5930 | PSN632408 | 857652-30-3 | C18H24N4O4 | 360.41 | |
EOS-AX5931 | 10-Oxo Docetaxel | 167074-97-7 | C43H51NO14 | 805.86 | |
EOS-AX5932 | 7-Epi-10-oxo-docetaxel | 162784-72-7 | C43H51NO14 | 805.86 | |
EOS-AX5933 | 7-Epi-docetaxel | 153381-68-1 | C43H53NO14 | 807.88 | |
EOS-AX5934 | Mofegiline hydrochloride | 120635-25-8 | C11H14ClF2N | 233.69 | |
EOS-AX5935 | Helioxanthin | 18920-47-3 | C20H12O6 | 348.31 | |
EOS-AX5936 | Helioxanthin derivative 5-4-2 | 203935-39-1 | C20H13NO5 | 347.32 | OC1=NCC2=C1C=C3C=CC(OCO4)=C4C3=C2C5=CC6=C(OCO6)C=C5 |
EOS-AX5937 | Helioxanthin 8-1 | 840529-13-7 | C20H12N2O6 | 376.32 | OC1=NN=C(O)C2=C1C=C3C=CC(OCO4)=C4C3=C2C5=CC6=C(OCO6)C=C5 |
EOS-AX5938 | AGN 194310 | 229961-45-9 | C28H24O2S | 424.55 | CCC1=CC=C(C(C2=C(S3)C=CC(C#CC4=CC=C(C(O)=O)C=C4)=C2)=CC3(C)C)C=C1 |
EOS-AX5939 | AGN 196996 | 958295-17-5 | C24H20BrNO5 | 482.32 | CCOC1=C(C(C2=CC=C(C=C2)C)=O)C=C(C(NC3=CC=C(C(O)=O)C=C3)=O)C=C1Br |
EOS-AX5940 | AGN 205728 | 859498-05-8 | C29H27NO3 | 437.53 | CC1=CC=C(C(C2=C3C=C(C(/C([H])=C([H])/C4=CC=C(C(O)=O)C=C4)=N\O)C=C2)=CCC3(C)C)C=C1 |
EOS-AX5941 | AGN 195183 | 367273-07-2 | C22H22ClF2NO4 | 437.86 | CC(CCC1(C)C)(C2=C1C(Cl)=C(O)C(/C(O)=N/C3=CC(F)=C(C(O)=O)C(F)=C3)=C2)C |
EOS-AX5942 | AGN 205327 | C24H26N2O3 | 390.47 | CC(CCC1(C)C)(C2=C1C=C(/C(C3=CC4=C(N3)C=CC(C(O)=O)=C4)=N/O)C=C2)C | |
EOS-AX5943 | α-Tocopherol phosphate | 38976-17-9 | C29H51O5P | 510.69 | |
EOS-AX5944 | Eltoprazine | 98224-03-4 | C12H16N2O2 | 220.27 | |
EOS-AX5945 | Eltoprazine hydrochloride | 98206-09-8 | C12H17ClN2O2 | 256.73 | |
EOS-AX5946 | RU 24969 | 66611-26-5 | C14H16N2O | 228.29 | |
EOS-AX5947 | VU 0240551 | 893990-34-6 | C16H14N4OS2 | 342.44 | |
EOS-AX5948 | BTS | 1576-37-0 | C14H15NO2S | 261.34 | |
EOS-AX5949 | AK-7 | 420831-40-9 | C19H21BrN2O3S | 437.35 | |
EOS-AX5950 | ISO-1 | 478336-92-4 | C12H13NO4 | 235.24 | |
EOS-AX5951 | BAMB-4 | 891025-25-5 | C15H12N2O2 | 252.27 | CC1=CC=C(C(NC2=NOC3=CC=CC=C32)=O)C=C1 |
EOS-AX5952 | (R)-(-)-Rolipram | 85416-75-7 | C16H21NO3 | 275.34 | |
EOS-AX5953 | Esomeprazole magnesium salt | 1198768-91-0 | C34H36MgN6O6S2 | 713.12 | CC(C=N1)=C(OC)C(C)=C1C[S@@](C2=NC3=C([N-]2)C=C(OC)C=C3)=O.CC(C=N4)=C(OC)C(C)=C4C[S@](C5=NC6=C([N-]5)C=C(OC)C=C6)=O.[Mg+2] |
EOS-AX5954 | (±)-Huperzine A | 120786-18-7 | C15H18N2O | 242.32 | |
EOS-AX5955 | Bambuterol | 81732-65-2 | C18H29N3O5 | 367.44 | O[C@H](C1=CC(OC(N(C)C)=O)=CC(OC(N(C)C)=O)=C1)CNC(C)(C)C |
EOS-AX5956 | Pantoprazole | 102625-70-7 | C16H15F2N3O4S | 383.37 | |
EOS-AX5957 | 2'-Deoxyguanosine | 961-07-9 | C10H13N5O4 | 267.24 | |
EOS-AX5958 | 2'-Deoxycytidine hydrochloride | 3992-42-5 | C9H14ClN3O4 | 263.68 | |
EOS-AX5959 | Oxytocin | 50-56-6 | C43H66N12O12S2 | 1007.19 | |
EOS-AX5960 | Pneumocandin B0 | 135575-42-7 | C50H80N8O17 | 1065.21 | |
EOS-AX5961 | Buparvaquone | 88426-33-9 | C21H26O3 | 326.43 | |
EOS-AX5962 | LPA2 antagonist 1 | 1017606-66-4 | C20H23Cl2N5O2S2 | 500.46 | CC1=CSC2=C1N=CN=C2N[C@@](CN3CCN(S(C4=CC(Cl)=C(Cl)C=C4)(=O)=O)CC3)([H])C |
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