Name: Miricorilant
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212717196
Cas No:1400902-13-7
常用名:Miricorilant
别名:CORT-118335, CORT118335, CORT 118335
IUPAC:6-[(1r,4r)-4-phenylcyclohexyl]-5-{[3-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC:6-[(1r,4r)-4-phenylcyclohexyl]-5-{[3-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
InChI key:GVVUZBSCYAVFTI-IYARVYRRSA-N

分子式:C24H23F3N2O2
分子量:428.455
氢键供体数 (HBD):2
氢键受体数 (HBA):2
LogP:5.3768516
SMILES:FC(F)(F)c1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@H]2CC[C@@H](CC2)c2ccccc2)c1 |wU:18.18,wD:21.25,(4,-17.71,;4,-16.17,;5.54,-16.17,;2.46,-16.17,;4,-14.63,;5.33,-13.86,;5.33,-12.32,;4,-11.55,;2.67,-12.32,;1.33,-11.55,;1.33,-10.01,;,-9.24,;,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-7.7,;2.67,-9.24,;4,-10.01,;-1.33,-10.01,;-1.33,-11.55,;-2.67,-12.32,;-4,-11.55,;-4,-10.01,;-2.67,-9.24,;-5.33,-12.32,;-5.33,-13.86,;-6.67,-14.63,;-8,-13.86,;-8,-12.32,;-6.67,-11.55,;2.67,-13.86,)|
SMILES:FC(F)(F)c1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@H]2CC[C@@H](CC2)c2ccccc2)c1 |wU:18.18,wD:21.25,(4,-17.71,;4,-16.17,;5.54,-16.17,;2.46,-16.17,;4,-14.63,;5.33,-13.86,;5.33,-12.32,;4,-11.55,;2.67,-12.32,;1.33,-11.55,;1.33,-10.01,;,-9.24,;,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-7.7,;2.67,-9.24,;4,-10.01,;-1.33,-10.01,;-1.33,-11.55,;-2.67,-12.32,;-4,-11.55,;-4,-10.01,;-2.67,-9.24,;-5.33,-12.32,;-5.33,-13.86,;-6.67,-14.63,;-8,-13.86,;-8,-12.32,;-6.67,-11.55,;2.67,-13.86,)|

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