General Information of the Compound
| Compound ID |
CP0449642
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-methyl-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]butanamide
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| Structure |
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| Formula |
C25H32F4N4O3S
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| Molecular Weight |
544.615
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| Canonical SMILES |
CCC(C)(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C25H32F4N4O3S/c1-5-24(3,18-7-8-20(19(26)14-18)32-37(4,35)36)23(34)30-15-17-6-9-21(25(27,28)29)31-22(17)33-12-10-16(2)11-13-33/h6-9,14,16,32H,5,10-13,15H2,1-4H3,(H,30,34)
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| InChIKey |
RKVNUVWWFBRHSI-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