61A2
HIT212714251
sdf文件结构编辑类似物检索
HIT ID: HIT212714251
Cas No: 690696-91-4
分子式: C27H27N3O4
分子量: 457.53
常用名: 61A2
氢键受体数 (HBA): 5
氢键供体数 (HBD): 3
LogP: 4.8462005
IUPAC: 2-({3-[(4-methylphenyl)carbamoyl]-4-(piperidin-1-yl)phenyl}carbamoyl)benzoic acid
IUPAC: 2-({3-[(4-methylphenyl)carbamoyl]-4-(piperidin-1-yl)phenyl}carbamoyl)benzoic acid
SMILES: Cc1ccc(NC(=O)c2cc(NC(=O)c3ccccc3C(O)=O)ccc2N2CCCCC2)cc1
SMILES: Cc1ccc(NC(=O)c2cc(NC(=O)c3ccccc3C(O)=O)ccc2N2CCCCC2)cc1
InChI key: NVLJOYMLQAJWLH-UHFFFAOYSA-N
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