General Information of the Compound
| Compound ID |
CP0505256
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2,2,2-trifluoroethylsulfanyl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C19H18F7N3O3S2
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| Molecular Weight |
533.491
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1SCC(F)(F)F)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C19H18F7N3O3S2/c1-10(11-3-5-14(13(20)7-11)29-34(2,31)32)16(30)27-8-12-4-6-15(19(24,25)26)28-17(12)33-9-18(21,22)23/h3-7,10,29H,8-9H2,1-2H3,(H,27,30)
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| InChIKey |
DPOCRXNLWZCLJU-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