CGP11952
HIT212708410
sdf文件结构编辑类似物检索
HIT ID: HIT212708410
Cas No: 64078-09-7
分子式: C21H21Cl2N5O2
分子量: 446.33
常用名: CGP11952
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 3.9276552
IUPAC: 1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-[(dimethylamino)methyl]-N-ethyl-1H-1,2,4-triazole-3-carboxamide
IUPAC: 1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-[(dimethylamino)methyl]-N-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILES: CCNC(=O)c1nc(CN(C)C)n(n1)-c1ccc(Cl)cc1C(=O)c1ccccc1Cl
SMILES: CCNC(=O)c1nc(CN(C)C)n(n1)-c1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChI key: IRQLQRRQIHFEOV-UHFFFAOYSA-N
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