General Information of the Compound
| Compound ID |
CP0394944
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pentan-3-yloxy-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C22H27F4N3O4S
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| Molecular Weight |
505.534
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| Canonical SMILES |
CCC(CC)Oc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C22H27F4N3O4S/c1-5-16(6-2)33-21-15(8-10-19(28-21)22(24,25)26)12-27-20(30)13(3)14-7-9-18(17(23)11-14)29-34(4,31)32/h7-11,13,16,29H,5-6,12H2,1-4H3,(H,27,30)
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| InChIKey |
JHVBWHZIPFXJAB-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