HIT ID: HIT212080483
Cas No: 2112837-79-1
分子式: C21H22ClN7O2S
分子量: 471.96
常用名: Dasatinib carbaldehyde
氢键受体数 (HBA): 7
氢键供体数 (HBD): 2
LogP: 3.96298
IUPAC: N-(2-chloro-6-methylphenyl)-2-{[6-(4-formylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino}-1,3-thiazole-5-carboxamide
IUPAC: N-(2-chloro-6-methylphenyl)-2-{[6-(4-formylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino}-1,3-thiazole-5-carboxamide
SMILES: Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CC2)C=O)s1
SMILES: Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CC2)C=O)s1
InChI key: BKDGDNUWAYNWBA-UHFFFAOYSA-N