General Information of the Compound
| Compound ID |
CP0417088
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| Compound Name |
3-cyano-5-fluoro-N-(1-methyl-1H-pyrazol-3-yl)benzamide
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| Structure |
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| Formula |
C12H9FN4O
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| Molecular Weight |
244.229
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| Canonical SMILES |
Cn1ccc(NC(=O)c2cc(F)cc(c2)C#N)n1
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| InChI |
InChI=1S/C12H9FN4O/c1-17-3-2-11(16-17)15-12(18)9-4-8(7-14)5-10(13)6-9/h2-6H,1H3,(H,15,16,18)
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| InChIKey |
DZMCSVURBZDZCC-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