General Information of the Compound
| Compound ID |
CP0427731
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| Compound Name |
N-[[2-(butylamino)-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C21H26F4N4O3S
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| Molecular Weight |
490.523
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| Canonical SMILES |
CCCCNc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C21H26F4N4O3S/c1-4-5-10-26-19-15(7-9-18(28-19)21(23,24)25)12-27-20(30)13(2)14-6-8-17(16(22)11-14)29-33(3,31)32/h6-9,11,13,29H,4-5,10,12H2,1-3H3,(H,26,28)(H,27,30)
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| InChIKey |
XMVHQIOFHLZTCP-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