A-9758
HIT212666882
sdf文件结构编辑类似物检索
HIT ID: HIT212666882
Cas No: 2055271-22-0
分子式: C25H23Cl2F3N2O3
分子量: 527.37
常用名: A-9758
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 6.122034
IUPAC: 1-(2,4-dichloro-3-{[1,4-dimethyl-6-(trifluoromethyl)-1H-indol-2-yl]methyl}benzoyl)piperidine-4-carboxylic acid
IUPAC: 1-(2,4-dichloro-3-{[1,4-dimethyl-6-(trifluoromethyl)-1H-indol-2-yl]methyl}benzoyl)piperidine-4-carboxylic acid
SMILES: Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(CC4)C(O)=O)c3Cl)cc12)C(F)(F)F
SMILES: Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(CC4)C(O)=O)c3Cl)cc12)C(F)(F)F
InChI key: NVDKGFYFKVWJLJ-UHFFFAOYSA-N
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