General Information of the Compound
| Compound ID |
CP0486596
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| Compound Name |
N-[[2-anilino-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C23H22F4N4O3S
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| Molecular Weight |
510.513
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1Nc1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C23H22F4N4O3S/c1-14(15-8-10-19(18(24)12-15)31-35(2,33)34)22(32)28-13-16-9-11-20(23(25,26)27)30-21(16)29-17-6-4-3-5-7-17/h3-12,14,31H,13H2,1-2H3,(H,28,32)(H,29,30)
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| InChIKey |
HGPVGIMWHVECNL-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