General Information of the Compound
| Compound ID |
CP0529628
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| Compound Name |
N-[[2-[(4-ethylphenyl)methoxy]-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C26H27F4N3O4S
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| Molecular Weight |
553.578
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| Canonical SMILES |
CCc1ccc(COc2nc(ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C26H27F4N3O4S/c1-4-17-5-7-18(8-6-17)15-37-25-20(10-12-23(32-25)26(28,29)30)14-31-24(34)16(2)19-9-11-22(21(27)13-19)33-38(3,35)36/h5-13,16,33H,4,14-15H2,1-3H3,(H,31,34)
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| InChIKey |
DVNKXNBNHDGUFN-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