HIT ID: HIT212019553
Cas No: 929095-18-1
分子式: C27H28F3N5O2S
分子量: 543.61
常用名: GSK461364
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 4.720398
IUPAC: 5-{6-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-1-yl}-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
IUPAC: 5-{6-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-1-yl}-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
SMILES: C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F
SMILES: C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F
InChI key: ZHJGWYRLJUCMRT-QGZVFWFLSA-N
