General Information of the Compound
| Compound ID |
CP0575667
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| Compound Name |
N-[[6-tert-butyl-2-(2,2,2-trifluoroethylsulfanyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C22H27F4N3O3S2
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| Molecular Weight |
521.602
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1SCC(F)(F)F)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C22H27F4N3O3S2/c1-13(14-6-8-17(16(23)10-14)29-34(5,31)32)19(30)27-11-15-7-9-18(21(2,3)4)28-20(15)33-12-22(24,25)26/h6-10,13,29H,11-12H2,1-5H3,(H,27,30)
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| InChIKey |
MNJVEIZGXKXCPP-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