General Information of the Compound
| Compound ID |
CP0539106
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[2-(4-methylphenyl)ethyl]-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C26H27F4N3O3S
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| Molecular Weight |
537.579
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1CCc1ccc(C)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C26H27F4N3O3S/c1-16-4-6-18(7-5-16)8-11-22-20(10-13-24(32-22)26(28,29)30)15-31-25(34)17(2)19-9-12-23(21(27)14-19)33-37(3,35)36/h4-7,9-10,12-14,17,33H,8,11,15H2,1-3H3,(H,31,34)
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| InChIKey |
IAESPAJDWLVCFY-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