小分子
选项
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AZ 3146CAS号 : 1124329-14-1(DMSO)分子式: C24H32N6O3 分子量: 452.55SMILES: COC1=C(NC2=NC3=C(C=N2)N(C)C(=O)N3C4CCCC4)C=CC(=C1)OC5CCN(C)CC5
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Apixaban (BMS 562247-01)CAS号 : 503612-47-3(DMSO)分子式: C25H25N5O4 分子量: 459.5SMILES: COC1=CC=C(C=C1)[N]2N=C(C(N)=O)C3=C2C(=O)N(CC3)C4=CC=C(C=C4)N5CCCCC5=O
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CYC116CAS号 : 693228-63-6(DMSO)分子式: C18H20N6OS 分子量: 368.46SMILES: CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4
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Furosemide (NSC 269420)CAS号 : 54-31-9(DMSO)分子式: C12H11ClN2O5S 分子量: 330.74SMILES: N[S](=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O
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三氯噻嗪CAS号 : 133-67-5(DMSO)分子式: C8H8Cl3N3O4S2 分子量: 380.66SMILES: N[S](=O)(=O)C1=C(Cl)C=C2NC(N[S](=O)(=O)C2=C1)C(Cl)Cl
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伐地考昔CAS号 : 181695-72-7(DMSO)分子式: C16H14N2O3S 分子量: 314.36SMILES: CC1=C(C2=CC=C(C=C2)[S](N)(=O)=O)C(=NO1)C3=CC=CC=C3
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利伐沙班CAS号 : 366789-02-8(DMSO)分子式: C19H18ClN3O5S 分子量: 435.88SMILES: ClC1=CC=C(S1)C(=O)NCC2CN(C(=O)O2)C3=CC=C(C=C3)N4CCOCC4=O
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托吡酯CAS号 : 97240-79-4(DMSO)分子式: C12H21NO8S 分子量: 339.36SMILES: CC1(C)OC2COC3(CO[S](N)(=O)=O)OC(C)(C)OC3C2O1
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贝曲西班CAS号 : 330942-05-7分子式: C23H22ClN5O3 分子量: 451.91IUPAC Name: N-(5-chloropyridin-2-yl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamideSMILES: 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)ClInChIKey: XHOLNRLADUSQLD-UHFFFAOYSA-NInChI: InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)
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BAY 57-1293CAS号 : 348086-71-5分子式: C18H18N4O3S2 分子量: 402.49IUPAC Name: N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamideSMILES: CC1=C(SC(=N1)N(C)C(=O)CC2=CC=C(C=C2)C3=CC=CC=N3)S(=O)(=O)NInChIKey: IVZKZONQVYTCKC-UHFFFAOYSA-NInChI: InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)
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氯塞酮CAS号 : 77-36-1分子式: C14H11ClN2O4S 分子量: 338.77IUPAC Name: 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamideSMILES: C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)OInChIKey: JIVPVXMEBJLZRO-UHFFFAOYSA-NInChI: InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)