HIT ID: HIT212680587
Cas No: 1233248-29-7
分子式: C27H23ClN2O3
分子量: 458.94
常用名: TASP0412098
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 3.992621
IUPAC: 2-{1-[(4-{[2-(4-chlorophenyl)ethyl]carbamoyl}phenyl)methyl]isoquinolin-4-yl}acetic acid
IUPAC: 2-{1-[(4-{[2-(4-chlorophenyl)ethyl]carbamoyl}phenyl)methyl]isoquinolin-4-yl}acetic acid
SMILES: OC(=O)Cc1cnc(Cc2ccc(cc2)C(=O)NCCc2ccc(Cl)cc2)c2ccccc12
SMILES: OC(=O)Cc1cnc(Cc2ccc(cc2)C(=O)NCCc2ccc(Cl)cc2)c2ccccc12
InChI key: DAGAYHFLQZNDFS-UHFFFAOYSA-N