N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(3-methylindol-1-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide, EGFR-IN-87, EGFR 抑制剂 87
HIT218701231
sdf文件结构编辑类似物检索
HIT ID: HIT218701231
Cas No: 1835666-87-9
分子式: C28H33N7O2
分子量: 499.619
常用名: N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(3-methylindol-1-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide, EGFR-IN-87, EGFR 抑制剂 87
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(3-methyl-1H-indol-1-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
SMILES: COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(C)c2ccccc12
InChI key: BFXOPDPBDZUCFW-UHFFFAOYSA-N
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