HIT ID: HIT212669299
Cas No: 1355612-71-3
分子式: C17H10F3N5O3S
分子量: 421.35
常用名: Aldose reductase-IN-1
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: 1.8892918
IUPAC: 2-(8-oxo-7-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-7H,8H-pyrazino[2,3-d]pyridazin-5-yl)acetic acid
IUPAC: 2-(8-oxo-7-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-7H,8H-pyrazino[2,3-d]pyridazin-5-yl)acetic acid
SMILES: OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2nccnc12
SMILES: OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2nccnc12
InChI key: YRGPAXAVTDMKDK-UHFFFAOYSA-N
