General Information of the Compound
| Compound ID |
CP0579455
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| Compound Name |
1-[4-cyano-3-(trifluoromethyl)phenyl]-N-pyridin-4-ylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C17H10F3N5O
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| Molecular Weight |
357.295
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1C#N)-n1ccc(n1)C(=O)Nc1ccncc1
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| InChI |
InChI=1S/C17H10F3N5O/c18-17(19,20)14-9-13(2-1-11(14)10-21)25-8-5-15(24-25)16(26)23-12-3-6-22-7-4-12/h1-9H,(H,22,23,26)
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| InChIKey |
ZELORTCQMSYHHR-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