General Information of the Compound
| Compound ID |
CP0571983
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| Compound Name |
1-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C18H10F4N4O
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| Molecular Weight |
374.297
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| Canonical SMILES |
Fc1ccc(NC(=O)c2ccn(n2)-c2ccc(C#N)c(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C18H10F4N4O/c19-12-2-4-13(5-3-12)24-17(27)16-7-8-26(25-16)14-6-1-11(10-23)15(9-14)18(20,21)22/h1-9H,(H,24,27)
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| InChIKey |
VTZPKERSVWKGEG-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