General Information of the Compound
| Compound ID |
CP0554818
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C23H28F4N4O3S
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| Molecular Weight |
516.561
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N1CCCC(C)C1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C23H28F4N4O3S/c1-14-5-4-10-31(13-14)21-17(7-9-20(29-21)23(25,26)27)12-28-22(32)15(2)16-6-8-19(18(24)11-16)30-35(3,33)34/h6-9,11,14-15,30H,4-5,10,12-13H2,1-3H3,(H,28,32)
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| InChIKey |
VROKCAQDHDZXMA-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