General Information of the Compound
| Compound ID |
CP0544649
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2-methylprop-1-enyl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C21H23F4N3O3S
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| Molecular Weight |
473.492
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1C=C(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C21H23F4N3O3S/c1-12(2)9-18-15(6-8-19(27-18)21(23,24)25)11-26-20(29)13(3)14-5-7-17(16(22)10-14)28-32(4,30)31/h5-10,13,28H,11H2,1-4H3,(H,26,29)
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| InChIKey |
BNMYQTDYWXTYKD-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