HIT ID: HIT212036761
Cas No: 1472795-20-2
分子式: C30H37ClN8O4
分子量: 609.13
常用名: KRCA-0008
氢键受体数 (HBA): 10
氢键供体数 (HBD): 2
LogP: 2.8556483
IUPAC: 1-(4-{4-[(4-{[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5-chloropyrimidin-2-yl)amino]-3-methoxyphenyl}piperazin-1-yl)ethan-1-one
IUPAC: 1-(4-{4-[(4-{[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5-chloropyrimidin-2-yl)amino]-3-methoxyphenyl}piperazin-1-yl)ethan-1-one
SMILES: COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(C)=O
SMILES: COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(C)=O
InChI key: TXDIRJCYNAWBOS-UHFFFAOYSA-N
