HIT ID: HIT212655755
Cas No: 1462949-64-9
分子式: C28H32FN5O3S
分子量: 537.65
常用名: ALK kinase inhibitor-1
氢键受体数 (HBA): 8
氢键供体数 (HBD): 2
LogP: 4.9985433
IUPAC: [7-(5-fluoro-2-methoxyphenyl)-2-{[4-(4-methylpiperazin-1-yl)-2-(propan-2-yloxy)phenyl]amino}thieno[3,2-d]pyrimidin-6-yl]methanol
IUPAC: [7-(5-fluoro-2-methoxyphenyl)-2-{[4-(4-methylpiperazin-1-yl)-2-(propan-2-yloxy)phenyl]amino}thieno[3,2-d]pyrimidin-6-yl]methanol
SMILES: COc1ccc(F)cc1-c1c(CO)sc2cnc(Nc3ccc(cc3OC(C)C)N3CCN(C)CC3)nc12
SMILES: COc1ccc(F)cc1-c1c(CO)sc2cnc(Nc3ccc(cc3OC(C)C)N3CCN(C)CC3)nc12
InChI key: SWRGFJBGNAEJOY-UHFFFAOYSA-N
