JTK-853
HIT212671955
sdf文件结构编辑类似物检索
HIT ID: HIT212671955
Cas No: 954389-09-4
分子式: C28H23F7N6O4S2
分子量: 704.64
常用名: JTK-853
氢键受体数 (HBA): 8
氢键供体数 (HBD): 1
LogP: 6.875409
IUPAC: (2R)-4-{5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}-1-[4-(trifluoromethyl)benzenesulfonyl]piperazine-2-carboxamide
IUPAC: (2R)-4-{5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}-1-[4-(trifluoromethyl)benzenesulfonyl]piperazine-2-carboxamide
SMILES: Fc1cc(CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c2ccc(cc2)C(F)(F)F)c2nc3nc(ncc3s2)C2CC2)ccc1OC(F)(F)F
SMILES: Fc1cc(CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c2ccc(cc2)C(F)(F)F)c2nc3nc(ncc3s2)C2CC2)ccc1OC(F)(F)F
InChI key: JQLOVYLALGSISI-HXUWFJFHSA-N
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