Name: H3 receptor antagonist 1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212666949
Cas No:935840-13-4
常用名:H3 receptor antagonist 1
IUPAC:(1s,3s)-3-fluoro-3-{3-fluoro-4-[(pyrrolidin-1-yl)methyl]phenyl}-N-(2-methylpropyl)cyclobutane-1-carboxamide
IUPAC:(1s,3s)-3-fluoro-3-{3-fluoro-4-[(pyrrolidin-1-yl)methyl]phenyl}-N-(2-methylpropyl)cyclobutane-1-carboxamide
InChI key:DJRDLCHHQYHQQK-MOBUCQHHSA-N

分子式:C20H28F2N2O
分子量:350.454
氢键供体数 (HBD):1
氢键受体数 (HBA):2
LogP:3.304567
SMILES:CC(C)CNC(=O)[C@H]1C[C@@](F)(C1)c1ccc(CN2CCCC2)c(F)c1 |wU:9.9,7.6,wD:9.12,(1.22,-3.77,;-.12,-4.54,;-.12,-6.08,;-1.45,-3.77,;-2.78,-4.54,;-4.12,-3.77,;-4.12,-2.23,;-5.45,-4.54,;-5.85,-6.03,;-7.34,-5.63,;-8.82,-5.23,;-6.94,-4.14,;-7.73,-7.12,;-9.22,-7.52,;-9.62,-9,;-8.53,-10.09,;-8.93,-11.58,;-10.42,-11.98,;-10.97,-13.42,;-12.51,-13.34,;-12.91,-11.85,;-11.61,-11.01,;-7.04,-9.69,;-5.96,-10.78,;-6.65,-8.21,)|
SMILES:CC(C)CNC(=O)[C@H]1C[C@@](F)(C1)c1ccc(CN2CCCC2)c(F)c1 |wU:9.9,7.6,wD:9.12,(1.22,-3.77,;-.12,-4.54,;-.12,-6.08,;-1.45,-3.77,;-2.78,-4.54,;-4.12,-3.77,;-4.12,-2.23,;-5.45,-4.54,;-5.85,-6.03,;-7.34,-5.63,;-8.82,-5.23,;-6.94,-4.14,;-7.73,-7.12,;-9.22,-7.52,;-9.62,-9,;-8.53,-10.09,;-8.93,-11.58,;-10.42,-11.98,;-10.97,-13.42,;-12.51,-13.34,;-12.91,-11.85,;-11.61,-11.01,;-7.04,-9.69,;-5.96,-10.78,;-6.65,-8.21,)|

H3 receptor antagonist 1 is used in the study of neurological diseases, histamine H3 receptor antagonist.

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