General Information of the Compound
| Compound ID |
CP0319354
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| Compound Name |
1-methyl-4-oxo-N-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C23H16F3N3O2
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| Molecular Weight |
423.394
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| Canonical SMILES |
Cn1cc(C(=O)Nc2ccc(-c3ccncc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
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| InChI |
InChI=1S/C23H16F3N3O2/c1-29-13-18(21(30)17-4-2-3-5-20(17)29)22(31)28-15-6-7-16(14-8-10-27-11-9-14)19(12-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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| InChIKey |
YIKPFKILJWCLFZ-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