HIT ID: HIT214322296
Cas No: 1197953-88-0
分子式: C29H39ClN7O2P
分子量: 584.1
常用名: ALK-IN-13
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 5-chloro-N4-[4-(dimethylphosphoryl)phenyl]-N2-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine
IUPAC: 5-chloro-N4-[4-(dimethylphosphoryl)phenyl]-N2-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine
SMILES: COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2)P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
SMILES: COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2)P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
InChI key: OAYGRXFKOOCTTP-UHFFFAOYSA-N
