General Information of the Compound
| Compound ID |
CP0197135
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| Compound Name |
4-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)benzonitrile
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| Structure |
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| Formula |
C16H12N4O
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| Molecular Weight |
276.299
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| Canonical SMILES |
Cc1[nH]n(-c2ccccn2)c(=O)c1-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C16H12N4O/c1-11-15(13-7-5-12(10-17)6-8-13)16(21)20(19-11)14-4-2-3-9-18-14/h2-9,19H,1H3
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| InChIKey |
BJYOHPPWOPQBJO-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