Name: Y-27632
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212650387
Cas No:146986-50-7
常用名:Y-27632
IUPAC:(1R,4r)-4-[(1R)-1-aminoethyl]-N-(pyridin-4-yl)cyclohexane-1-carboxamide
IUPAC:(1R,4r)-4-[(1R)-1-aminoethyl]-N-(pyridin-4-yl)cyclohexane-1-carboxamide
InChI key:IYOZTVGMEWJPKR-IJLUTSLNSA-N

分子式:C14H21N3O
分子量:247.342
氢键供体数 (HBD):2
氢键受体数 (HBA):3
LogP:1.3447734
SMILES:C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 |wU:3.2,wD:6.9,1.1,(2.67,4.62,;1.33,3.85,;,4.62,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;,1.54,;1.33,-2.31,;,-3.08,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,)|
SMILES:C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 |wU:3.2,wD:6.9,1.1,(2.67,4.62,;1.33,3.85,;,4.62,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;,1.54,;1.33,-2.31,;,-3.08,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,)|

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