小分子
选项
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Linezolid (PNU-100766)CAS号 : 165800-03-3(DMSO)分子式: C16H20FN3O4 分子量: 337.35SMILES: CC(=O)NCC1CN(C(=O)O1)C2=CC=C(N3CCOCC3)C(=C2)F
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Pioglitazone (AD-4833)CAS号 : 111025-46-8(DMSO)分子式: C19H20N2O3S 分子量: 356.44SMILES: CCC1=CC=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)N=C1
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伊曲茶碱CAS号 : 155270-99-8(DMSO)分子式: C20H24N4O4 分子量: 384.43SMILES: CCN1C(=O)N(CC)C2=C([N](C)C(=N2)\C=C\C3=CC=C(OC)C(=C3)OC)C1=O
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甲磺酸雷沙吉兰CAS号 : 161735-79-1(DMSO)分子式: C12H13N·CH4O3S 分子量: 267.34SMILES: C[S](O)(=O)=O.C#CCNC1CCC2=CC=CC=C12
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胡椒碱CAS号 : 94-62-2(DMSO)分子式: C17H19NO3 分子量: 285.34SMILES: O=C(\C=C\C=C\C1=CC2=C(OCO2)C=C1)N3CCCCC3
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AMG 333CAS号 : 1416799-28-4分子式: C20H12F5N3O4 分子量: 453.33IUPAC Name: 6-[[(S)-(3-fluoropyridin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]carbamoyl]pyridine-3-carboxylic acidSMILES: C1=CC(=C(N=C1)C(C2=CC(=C(C=C2)OC(F)(F)F)F)NC(=O)C3=NC=C(C=C3)C(=O)O)FInChIKey: QEBYISWYMFIXOZ-INIZCTEOSA-NInChI: InChI=1S/C20H12F5N3O4/c21-12-2-1-7-26-17(12)16(10-4-6-15(13(22)8-10)32-20(23,24)25)28-18(29)14-5-3-11(9-27-14)19(30)31/h1-9,16H,(H,28,29)(H,30,31)/t16-/m0/s1
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CapsazepineCAS号 : 138977-28-3分子式: C19H21ClN2O2S 分子量: 376.9IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamideSMILES: C1CC2=CC(=C(C=C2CN(C1)C(=S)NCCC3=CC=C(C=C3)Cl)O)OInChIKey: DRCMAZOSEIMCHM-UHFFFAOYSA-NInChI: InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)
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靛红(NSC 9262)CAS号 : 91-56-5分子式: C8H5NO2 分子量: 147.13IUPAC Name: 1H-indole-2,3-dioneSMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2InChIKey: JXDYKVIHCLTXOP-UHFFFAOYSA-NInChI: InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)