General Information of the Compound
| Compound ID |
CP0473766
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| Compound Name |
N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C21H15ClF3N3O2
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| Molecular Weight |
433.817
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| Canonical SMILES |
Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C21H15ClF3N3O2/c1-12-15(8-10-18(26-12)21(23,24)25)19(29)28-14-7-9-17(22)16(11-14)20(30)27-13-5-3-2-4-6-13/h2-11H,1H3,(H,27,30)(H,28,29)
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| InChIKey |
JFUHNKVQYREKOQ-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