小分子和化合物库
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1-(3,4-二氯苄基)-1H-吲哚-2,3-二酮CAS号 : 79183-19-0分子式: C15H9Cl2NO2 分子量: 306.14IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]indole-2,3-dioneSMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2CC3=CC(=C(C=C3)Cl)ClInChIKey: KGRJPLRFGLMQMV-UHFFFAOYSA-NInChI: InChI=1S/C15H9Cl2NO2/c16-11-6-5-9(7-12(11)17)8-18-13-4-2-1-3-10(13)14(19)15(18)20/h1-7H,8H2
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1-(3,4-二氯苄基)-1H-吲哚-2,3-二酮CAS号 : 79183-19-0(DMSO)分子式: C15H9Cl2NO2 分子量: 306.14SMILES: ClC1=C(Cl)C=C(CN2C(=O)C(=O)C3=C2C=CC=C3)C=C1
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Torkinib (PP242)CAS号 : 1092351-67-1(DMSO)分子式: C16H16N6O 分子量: 308.34SMILES: CC(C)[N]1N=C(C2=CC3=C([NH]2)C=CC(=C3)O)C4=C(N)N=CN=C14
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隐丹参酮CAS号 : 35825-57-1(DMSO)分子式: C19H20O3 分子量: 296.36SMILES: CC1COC2=C1C(=O)C(=O)C3=C4CCCC(C)(C)C4=CC=C23
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1-(2-bromoethyl)-1H-indole-2,3-dione分子式: C10H8BrNO2 分子量: 254.08IUPAC Name: 1-(2-bromoethyl)indole-2,3-dioneSMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2CCBrInChIKey: SJALPCXFOSGNST-UHFFFAOYSA-NInChI: InChI=1S/C10H8BrNO2/c11-5-6-12-8-4-2-1-3-7(8)9(13)10(12)14/h1-4H,5-6H2
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1-(4-Nitrophenyl)-2-phenylethane-1,2-dioneCAS号 : 22711-24-6 Compound CID : 283893分子式: C14H9NO4 分子量: 255.22IUPAC Name: 1-(4-nitrophenyl)-2-phenylethane-1,2-dioneSMILES: C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]InChIKey: GPDKREBNFFEDHW-UHFFFAOYSA-NInChI: InChI=1S/C14H9NO4/c16-13(10-4-2-1-3-5-10)14(17)11-6-8-12(9-7-11)15(18)19/h1-9H
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2-Nitrophenanthrene-9,10-dione分子式: C14H7NO4 分子量: 253.21IUPAC Name: 2-nitrophenanthrene-9,10-dioneSMILES: C1=CC=C2C(=C1)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=OInChIKey: KNAXWOBOCVVMST-UHFFFAOYSA-NInChI: InChI=1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H
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1,2-Dinaphthalen-2-ylethane-1,2-dioneCAS号 : 29574-57-0 Compound CID : 3274712分子式: C22H14O2 分子量: 310.3IUPAC Name: 1,2-dinaphthalen-2-ylethane-1,2-dioneSMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)C(=O)C3=CC4=CC=CC=C4C=C3InChIKey: CUUMQBIJNWGQLU-UHFFFAOYSA-NInChI: InChI=1S/C22H14O2/c23-21(19-11-9-15-5-1-3-7-17(15)13-19)22(24)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
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1,2-Bis(2-fluorophenyl)ethane-1,2-dione分子式: C14H8F2O2 分子量: 246.21IUPAC Name: 1,2-bis(2-fluorophenyl)ethane-1,2-dioneSMILES: C1=CC=C(C(=C1)C(=O)C(=O)C2=CC=CC=C2F)FInChIKey: UWQCHLREAXYCBW-UHFFFAOYSA-NInChI: InChI=1S/C14H8F2O2/c15-11-7-3-1-5-9(11)13(17)14(18)10-6-2-4-8-12(10)16/h1-8H
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4-(2-Oxo-2-phenylacetyl)benzoic acidCAS号 : 72857-25-1 Compound CID : 2385968分子式: C15H10O4 分子量: 254.24IUPAC Name: 4-(2-oxo-2-phenylacetyl)benzoic acidSMILES: C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C(=O)OInChIKey: MWJHDSAAGSURCA-UHFFFAOYSA-NInChI: InChI=1S/C15H10O4/c16-13(10-4-2-1-3-5-10)14(17)11-6-8-12(9-7-11)15(18)19/h1-9H,(H,18,19)
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5-Bromo-1-(2-methylallyl)indoline-2,3-dioneCAS号 : 122834-40-6 Compound CID : 1755771分子式: C12H10BrNO2 分子量: 280.12IUPAC Name: 5-bromo-1-(2-methylprop-2-enyl)indole-2,3-dioneSMILES: CC(=C)CN1C2=C(C=C(C=C2)Br)C(=O)C1=OInChIKey: RUGKDKWVOXRCGI-UHFFFAOYSA-NInChI: InChI=1S/C12H10BrNO2/c1-7(2)6-14-10-4-3-8(13)5-9(10)11(15)12(14)16/h3-5H,1,6H2,2H3
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