General Information of the Compound
| Compound ID |
CP0490597
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| Compound Name |
N-[4-tert-butyl-5-hydroxy-2-(trifluoromethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
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| Structure |
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| Formula |
C21H19F3N2O3
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| Molecular Weight |
404.388
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| Canonical SMILES |
CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(F)(F)F
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| InChI |
InChI=1S/C21H19F3N2O3/c1-20(2,3)14-8-13(21(22,23)24)16(9-17(14)27)26-19(29)12-10-25-15-7-5-4-6-11(15)18(12)28/h4-10,27H,1-3H3,(H,25,28)(H,26,29)
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| InChIKey |
ZAODJOCISUBYCU-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