General Information of the Compound
| Compound ID |
CP0448184
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| Compound Name |
2-cyclohexyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]acetamide
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| Structure |
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| Formula |
C28H36F4N4O3S
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| Molecular Weight |
584.68
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| Canonical SMILES |
CC1CCN(CC1)c1nc(ccc1CNC(=O)C(C1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C28H36F4N4O3S/c1-18-12-14-36(15-13-18)26-21(9-11-24(34-26)28(30,31)32)17-33-27(37)25(19-6-4-3-5-7-19)20-8-10-23(22(29)16-20)35-40(2,38)39/h8-11,16,18-19,25,35H,3-7,12-15,17H2,1-2H3,(H,33,37)
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| InChIKey |
XQGRBLSMXCQIMI-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound