Aripiprazole (D8)
HIT212686953
sdf文件结构编辑类似物检索
HIT ID: HIT212686953
Cas No: 1089115-06-9
分子式: C23H27Cl2N3O2
分子量: 456.44
常用名: Aripiprazole (D8)
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 4.9012437
IUPAC: 7-{4-[4-(2,3-dichlorophenyl)(2,2,3,3,5,5,6,6-2H8)piperazin-1-yl]butoxy}-1,2,3,4-tetrahydroquinolin-2-one
IUPAC: 7-{4-[4-(2,3-dichlorophenyl)(2,2,3,3,5,5,6,6-2H8)piperazin-1-yl]butoxy}-1,2,3,4-tetrahydroquinolin-2-one
SMILES: [2H]C1([2H])N(CCCCOc2ccc3CCC(=O)Nc3c2)C([2H])([2H])C([2H])([2H])N(c2cccc(Cl)c2Cl)C1([2H])[2H]
SMILES: [2H]C1([2H])N(CCCCOc2ccc3CCC(=O)Nc3c2)C([2H])([2H])C([2H])([2H])N(c2cccc(Cl)c2Cl)C1([2H])[2H]
InChI key: CEUORZQYGODEFX-FUEQIQQISA-N
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