HIT ID: HIT218847973
Cas No: 2982583-44-6
分子式: C35H47N9O2
分子量: 625.822
常用名: EGFR-IN-101
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[({1-[2-({2-methoxy-5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}amino)pyrimidin-4-yl]-3-phenyl-1H-pyrazol-4-yl}methyl)amino]propan-1-ol
IUPAC: (2S)-2-[({1-[2-({2-methoxy-5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}amino)pyrimidin-4-yl]-3-phenyl-1H-pyrazol-4-yl}methyl)amino]propan-1-ol
SMILES: COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1nccc(n1)-n1cc(CN[C@@H](C)CO)c(n1)-c1ccccc1
SMILES: COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1nccc(n1)-n1cc(CN[C@@H](C)CO)c(n1)-c1ccccc1
InChI key: RBGCSMIUHIZHAB-SANMLTNESA-N
