HIT ID: HIT212672544
Cas No: 1799631-75-6;1799831-02-9
分子式: C47H44ClFN6O6S
分子量: 875.41
常用名: (R)-MIK665
氢键受体数 (HBA): 12
氢键供体数 (HBD): 1
LogP: 6.360258
IUPAC: (2R)-2-[(5-{3-chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl}-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl)oxy]-3-(2-{[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}phenyl)propanoic acid
IUPAC: (2R)-2-[(5-{3-chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl}-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl)oxy]-3-(2-{[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}phenyl)propanoic acid
SMILES: COc1ccccc1-c1nccc(COc2ccccc2C[C@@H](Oc2ncnc3sc(c(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4C)c23)-c2ccc(F)cc2)C(O)=O)n1
SMILES: COc1ccccc1-c1nccc(COc2ccccc2C[C@@H](Oc2ncnc3sc(c(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4C)c23)-c2ccc(F)cc2)C(O)=O)n1
InChI key: PKYIMGFMRFVOMB-LDLOPFEMSA-N