Lurasidone metabolite 14283
HIT217657433
sdf文件结构编辑类似物检索
HIT ID: HIT217657433
Cas No: 186204-31-9
分子式: C28H36N4O3S
分子量: 508.68
常用名: Lurasidone metabolite 14283
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,2S,6R,7S,8R)-4-{[(1R,2R)-2-{[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl}cyclohexyl]methyl}-8-hydroxy-4-azatricyclo[5.2.1.0^{2,6}]decane-3,5-dione
IUPAC: (1S,2S,6R,7S,8R)-4-{[(1R,2R)-2-{[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl}cyclohexyl]methyl}-8-hydroxy-4-azatricyclo[5.2.1.0^{2,6}]decane-3,5-dione
SMILES: O[C@@H]1C[C@@H]2C[C@H]1[C@@H]1[C@H]2C(=O)N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3ccccc23)C1=O
SMILES: O[C@@H]1C[C@@H]2C[C@H]1[C@@H]1[C@H]2C(=O)N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3ccccc23)C1=O
InChI key: JVTNTCYRWHASTQ-IYPUAYAFSA-N
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