LYPLAL1-IN-1
HIT212672500
sdf文件结构编辑类似物检索
HIT ID: HIT212672500
Cas No: 1966129-74-7
分子式: C29H29N7O4
分子量: 539.596
常用名: LYPLAL1-IN-1
氢键受体数 (HBA): 9
氢键供体数 (HBD): 1
LogP: 3.6867871
IUPAC: (2R,3R)-1-(3-{4-[2-(morpholin-4-yl)pyrimidin-5-yl]phenyl}-1H-1,2,4-triazole-1-carbonyl)-2-phenylpiperidine-3-carboxylic acid
IUPAC: (2R,3R)-1-(3-{4-[2-(morpholin-4-yl)pyrimidin-5-yl]phenyl}-1H-1,2,4-triazole-1-carbonyl)-2-phenylpiperidine-3-carboxylic acid
SMILES: OC(=O)[C@@H]1CCCN([C@H]1c1ccccc1)C(=O)n1cnc(n1)-c1ccc(cc1)-c1cnc(nc1)N1CCOCC1
SMILES: OC(=O)[C@@H]1CCCN([C@H]1c1ccccc1)C(=O)n1cnc(n1)-c1ccc(cc1)-c1cnc(nc1)N1CCOCC1
InChI key: OWBNMAVVNDAXQY-RPBOFIJWSA-N
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