General Information of the Compound
| Compound ID |
CP0054626
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| Compound Name |
N-[5-[3-[4-methoxy-2-(trifluoromethyl)phenyl]pyridin-4-yl]-1,3-thiazol-2-yl]-2-methylpropanamide
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| Structure |
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| Formula |
C20H18F3N3O2S
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| Molecular Weight |
421.444
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| Canonical SMILES |
COc1ccc(-c2cnccc2-c2cnc(NC(=O)C(C)C)s2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H18F3N3O2S/c1-11(2)18(27)26-19-25-10-17(29-19)14-6-7-24-9-15(14)13-5-4-12(28-3)8-16(13)20(21,22)23/h4-11H,1-3H3,(H,25,26,27)
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| InChIKey |
UIQNMIISGRIHIY-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