General Information of the Compound
| Compound ID |
CP0428037
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| Compound Name |
N-[[2-(3,4-dimethylanilino)-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C25H26F4N4O3S
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| Molecular Weight |
538.567
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1Nc1ccc(C)c(C)c1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C25H26F4N4O3S/c1-14-5-8-19(11-15(14)2)31-23-18(7-10-22(32-23)25(27,28)29)13-30-24(34)16(3)17-6-9-21(20(26)12-17)33-37(4,35)36/h5-12,16,33H,13H2,1-4H3,(H,30,34)(H,31,32)
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| InChIKey |
XIHOVVIFTSOLQE-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