General Information of the Compound
| Compound ID |
CP0455690
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| Compound Name |
N-[[2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C24H23ClF4N4O3S
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| Molecular Weight |
558.985
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1Nc1cc(Cl)ccc1C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C24H23ClF4N4O3S/c1-13-4-7-17(25)11-20(13)31-22-16(6-9-21(32-22)24(27,28)29)12-30-23(34)14(2)15-5-8-19(18(26)10-15)33-37(3,35)36/h4-11,14,33H,12H2,1-3H3,(H,30,34)(H,31,32)
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| InChIKey |
PIYAMUBGJBRZRS-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