General Information of the Compound
| Compound ID |
CP0482534
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| Compound Name |
N-[[2-[(3,5-dimethoxyphenyl)methoxy]-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C26H27F4N3O6S
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| Molecular Weight |
585.576
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| Canonical SMILES |
COc1cc(COc2nc(ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)C(F)(F)F)cc(OC)c1
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| InChI |
InChI=1S/C26H27F4N3O6S/c1-15(17-5-7-22(21(27)11-17)33-40(4,35)36)24(34)31-13-18-6-8-23(26(28,29)30)32-25(18)39-14-16-9-19(37-2)12-20(10-16)38-3/h5-12,15,33H,13-14H2,1-4H3,(H,31,34)
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| InChIKey |
HSHDULFVPYOJAG-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