HIT ID: HIT218851343
Cas No: 2403729-27-9
分子式: C19H12F4N6O
分子量: 416.34
常用名: Topoisomerase II inhibitor 16
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-(2-{5-[5-fluoro-2-(trifluoromethyl)pyridin-3-yl]-2,3-dihydro-1H-isoindol-2-yl}-2-oxoethyl)-1H-1,2,4-triazole-3-carbonitrile
IUPAC: 1-(2-{5-[5-fluoro-2-(trifluoromethyl)pyridin-3-yl]-2,3-dihydro-1H-isoindol-2-yl}-2-oxoethyl)-1H-1,2,4-triazole-3-carbonitrile
SMILES: Fc1cnc(c(c1)-c1ccc2CN(Cc2c1)C(=O)Cn1cnc(n1)C#N)C(F)(F)F
SMILES: Fc1cnc(c(c1)-c1ccc2CN(Cc2c1)C(=O)Cn1cnc(n1)C#N)C(F)(F)F
InChI key: JDTWUDDOSHJEIZ-UHFFFAOYSA-N