Name: glimepride
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212083446
Cas No:93479-97-1
常用名:glimepride
IUPAC:3-ethyl-4-methyl-2-oxo-N-(2-{4-[({[(1r,4r)-4-methylcyclohexyl]carbamoyl}amino)sulfonyl]phenyl}ethyl)-2,5-dihydro-1H-pyrrole-1-carboxamide
IUPAC:3-ethyl-4-methyl-2-oxo-N-(2-{4-[({[(1r,4r)-4-methylcyclohexyl]carbamoyl}amino)sulfonyl]phenyl}ethyl)-2,5-dihydro-1H-pyrrole-1-carboxamide
InChI key:WIGIZIANZCJQQY-RUCARUNLSA-N

分子式:C24H34N4O5S
分子量:490.62
氢键供体数 (HBD):3
氢键受体数 (HBA):5
LogP:3.962
SMILES:CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]2CC[C@H](C)CC2)C1=O |wU:25.25,wD:28.29,c:2,(-16.88,-6.87,;-15.97,-8.11,;-14.44,-7.95,;-13.67,-6.62,;-14.3,-5.21,;-12.16,-6.94,;-12,-8.47,;-10.67,-9.24,;-10.67,-10.78,;-9.34,-8.47,;-8,-9.24,;-6.67,-8.47,;-5.33,-9.24,;-4,-8.47,;-2.67,-9.24,;-2.67,-10.78,;-4,-11.55,;-5.33,-10.78,;-1.33,-11.55,;-2.1,-12.88,;-.56,-10.22,;,-12.32,;,-13.86,;-1.33,-14.63,;1.33,-14.63,;2.67,-13.86,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;6.67,-11.55,;5.33,-13.86,;4,-14.63,;-13.41,-9.1,;-13.73,-10.6,)|
SMILES:CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]2CC[C@H](C)CC2)C1=O |wU:25.25,wD:28.29,c:2,(-16.88,-6.87,;-15.97,-8.11,;-14.44,-7.95,;-13.67,-6.62,;-14.3,-5.21,;-12.16,-6.94,;-12,-8.47,;-10.67,-9.24,;-10.67,-10.78,;-9.34,-8.47,;-8,-9.24,;-6.67,-8.47,;-5.33,-9.24,;-4,-8.47,;-2.67,-9.24,;-2.67,-10.78,;-4,-11.55,;-5.33,-10.78,;-1.33,-11.55,;-2.1,-12.88,;-.56,-10.22,;,-12.32,;,-13.86,;-1.33,-14.63,;1.33,-14.63,;2.67,-13.86,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;6.67,-11.55,;5.33,-13.86,;4,-14.63,;-13.41,-9.1,;-13.73,-10.6,)|

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