General Information of the Compound
| Compound ID |
CP0469185
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| Compound Name |
N-[[2-(3-bromopropylsulfanyl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C20H22BrF4N3O3S2
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| Molecular Weight |
572.444
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1SCCCBr)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C20H22BrF4N3O3S2/c1-12(13-4-6-16(15(22)10-13)28-33(2,30)31)18(29)26-11-14-5-7-17(20(23,24)25)27-19(14)32-9-3-8-21/h4-7,10,12,28H,3,8-9,11H2,1-2H3,(H,26,29)
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| InChIKey |
ZEJUVTNPECAICM-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