General Information of the Compound
| Compound ID |
CP0558915
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| Compound Name |
2-[3-fluoro-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C24H27F7N4O3S
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| Molecular Weight |
584.558
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(=O)(=O)CC(F)(F)F)c(F)c1
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| InChI |
InChI=1S/C24H27F7N4O3S/c1-14-7-9-35(10-8-14)21-17(4-6-20(33-21)24(29,30)31)12-32-22(36)15(2)16-3-5-19(18(25)11-16)34-39(37,38)13-23(26,27)28/h3-6,11,14-15,34H,7-10,12-13H2,1-2H3,(H,32,36)
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| InChIKey |
CPAYOAVQNNMDON-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