HIT ID: HIT212650611
Cas No: 1421373-62-7
分子式: C27H30ClN7O2
分子量: 520.03
常用名: Mutant EGFR inhibitor
氢键受体数 (HBA): 7
氢键供体数 (HBD): 3
LogP: 4.86735
IUPAC: N-(5-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxyphenyl)prop-2-enamide
IUPAC: N-(5-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxyphenyl)prop-2-enamide
SMILES: COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
SMILES: COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
InChI key: SUPQPCQJBYPRPC-UHFFFAOYSA-N
