HIT ID: HIT100563142

Cas No: 1114628-25-9

分子式: C26H26ClN3O3

分子量: 463.96

常用名: 3-(4-chlorobenzamido)-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid, CRM1-IN-3

氢键受体数 (HBA): 5

氢键供体数 (HBD): 2

LogP: 6.608

IUPAC: 3-(4-chlorobenzamido)-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid

SMILES: Cc1ccc(C)c(c1)N1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(Cl)cc1)C(O)=O

InChI key: BQXRGKXBCYCKLD-UHFFFAOYSA-N