General Information of the Compound
| Compound ID |
CP0494292
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| Compound Name |
N-[[2-(4-ethylcyclohexen-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C25H29F4N3O3S
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| Molecular Weight |
527.584
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| Canonical SMILES |
CCC1CCC(=CC1)c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C25H29F4N3O3S/c1-4-16-5-7-17(8-6-16)23-19(10-12-22(31-23)25(27,28)29)14-30-24(33)15(2)18-9-11-21(20(26)13-18)32-36(3,34)35/h7,9-13,15-16,32H,4-6,8,14H2,1-3H3,(H,30,33)
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| InChIKey |
PWFPKEHFLZSCDG-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