J-113397
HIT212712910
sdf文件结构编辑类似物检索
HIT ID: HIT212712910
Cas No: 256640-45-6
分子式: C24H37N3O2
分子量: 399.579
常用名: J-113397
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 3.926167
IUPAC: 1-[(3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
IUPAC: 1-[(3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
SMILES: CCn1c2ccccc2n([C@@H]2CCN(CC3CCCCCCC3)C[C@H]2CO)c1=O
SMILES: CCn1c2ccccc2n([C@@H]2CCN(CC3CCCCCCC3)C[C@H]2CO)c1=O
InChI key: MBGVUMXBUGIIBQ-LEWJYISDSA-N
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