General Information of the Compound
| Compound ID |
CP0445247
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| Compound Name |
N-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C11H7F4N3O
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| Molecular Weight |
273.189
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| Canonical SMILES |
Fc1ccc(NC(=O)c2cc[nH]n2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C11H7F4N3O/c12-6-1-2-8(7(5-6)11(13,14)15)17-10(19)9-3-4-16-18-9/h1-5H,(H,16,18)(H,17,19)
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| InChIKey |
UYBZDGDSXUURMU-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