General Information of the Compound
| Compound ID |
CP0571984
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| Compound Name |
N-(4-cyanophenyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C19H10F3N5O
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| Molecular Weight |
381.317
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1C#N)-n1ccc(n1)C(=O)Nc1ccc(cc1)C#N
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| InChI |
InChI=1S/C19H10F3N5O/c20-19(21,22)16-9-15(6-3-13(16)11-24)27-8-7-17(26-27)18(28)25-14-4-1-12(10-23)2-5-14/h1-9H,(H,25,28)
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| InChIKey |
KVJHFSMFTAFWMX-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