小分子和化合物库
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4-(4-氯苯基)-2-(2-环戊烯肼基)噻唑(CPTH2)CAS号 : 357649-93-5 Compound CID : 25193530分子式: C14H14ClN3S 分子量: 291.8IUPAC Name: 4-(4-chlorophenyl)-N-(cyclopentylideneamino)-1,3-thiazol-2-amineSMILES: C1CCC(=NNC2=NC(=CS2)C3=CC=C(C=C3)Cl)C1InChIKey: YYTHPXHGWSAKIZ-UHFFFAOYSA-NInChI: InChI=1S/C14H14ClN3S/c15-11-7-5-10(6-8-11)13-9-19-14(16-13)18-17-12-3-1-2-4-12/h5-9H,1-4H2,(H,16,18)
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胡椒碱分子式: C17H19NO3 分子量: 285.37IUPAC Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-oneSMILES: C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3InChIKey: MXXWOMGUGJBKIW-YPCIICBESA-NInChI: InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
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CAY10680CAS号 : 1439488-21-7 Compound CID : 71680733分子式: C18H16N2O2S 分子量: 324.40IUPAC Name: N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamideSMILES: C1=CC=C(C=C1)CCCC(=O)NC2=NC3=CC=CC=C3C(=O)S2InChIKey: QMBOZLGNPMVERZ-UHFFFAOYSA-NInChI: InChI=1S/C18H16N2O2S/c21-16(12-6-9-13-7-2-1-3-8-13)20-18-19-15-11-5-4-10-14(15)17(22)23-18/h1-5,7-8,10-11H,6,9,12H2,(H,19,20,21)
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4′-(4-溴苄氧基)苯乙酮CAS号 : 694443-80-6 Compound CID : 2195073分子式: C15H13BrO2 分子量: 305.17IUPAC Name: 1-[4-[(4-bromophenyl)methoxy]phenyl]ethanoneSMILES: CC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)BrInChIKey: UNFAYODHYINMBE-UHFFFAOYSA-NInChI: InChI=1S/C15H13BrO2/c1-11(17)13-4-8-15(9-5-13)18-10-12-2-6-14(16)7-3-12/h2-9H,10H2,1H3
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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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罗格列酮CAS号 : 122320-73-4(DMSO)分子式: C18H19N3O3S 分子量: 357.43SMILES: CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C3=CC=CC=N3
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