General Information of the Compound
| Compound ID |
CP0533051
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(furan-2-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C21H19F4N3O4S
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| Molecular Weight |
485.459
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1-c1ccco1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C21H19F4N3O4S/c1-12(13-5-7-16(15(22)10-13)28-33(2,30)31)20(29)26-11-14-6-8-18(21(23,24)25)27-19(14)17-4-3-9-32-17/h3-10,12,28H,11H2,1-2H3,(H,26,29)
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| InChIKey |
JPMSKMGJQNHBDY-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