Name: UK-500001
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212713858
Cas No:582332-31-8
常用名:UK-500001
别名:UK500001, UK-500,001, UK500,001, UK 500,001
别名:UK500001, UK-500,001, UK500,001, UK 500,001
IUPAC:2-(3,4-difluorophenoxy)-5-fluoro-N-[(1s,4s)-4-(2-hydroxy-5-methylbenzamido)cyclohexyl]pyridine-3-carboxamide
IUPAC:2-(3,4-difluorophenoxy)-5-fluoro-N-[(1s,4s)-4-(2-hydroxy-5-methylbenzamido)cyclohexyl]pyridine-3-carboxamide
InChI key:OHIUQAZROSYCMC-CALCHBBNSA-N

分子式:C26H24F3N3O4
分子量:499.49
氢键供体数 (HBD):3
氢键受体数 (HBA):4
LogP:5.1912875
SMILES:Cc1ccc(O)c(c1)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1ccc(F)c(F)c1 |wU:14.18,11.11,(5.33,-16.94,;4,-16.17,;2.67,-16.94,;1.33,-16.17,;1.33,-14.63,;,-13.86,;2.67,-13.86,;4,-14.63,;2.67,-12.32,;1.33,-11.55,;4,-11.55,;4,-10.01,;2.67,-9.24,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;5.33,-9.24,;4,-5.39,;5.33,-4.62,;5.33,-3.08,;6.67,-5.39,;6.67,-6.93,;8,-7.7,;8,-9.24,;9.34,-6.93,;9.34,-5.39,;8,-4.62,;8,-3.08,;9.34,-2.31,;9.34,-.77,;10.67,,;12,-.77,;13.34,,;12,-2.31,;13.34,-3.08,;10.67,-3.08,)|
SMILES:Cc1ccc(O)c(c1)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1ccc(F)c(F)c1 |wU:14.18,11.11,(5.33,-16.94,;4,-16.17,;2.67,-16.94,;1.33,-16.17,;1.33,-14.63,;,-13.86,;2.67,-13.86,;4,-14.63,;2.67,-12.32,;1.33,-11.55,;4,-11.55,;4,-10.01,;2.67,-9.24,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;5.33,-9.24,;4,-5.39,;5.33,-4.62,;5.33,-3.08,;6.67,-5.39,;6.67,-6.93,;8,-7.7,;8,-9.24,;9.34,-6.93,;9.34,-5.39,;8,-4.62,;8,-3.08,;9.34,-2.31,;9.34,-.77,;10.67,,;12,-.77,;13.34,,;12,-2.31,;13.34,-3.08,;10.67,-3.08,)|

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