General Information of the Compound
| Compound ID |
CP0385750
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| Compound Name |
3-methyl-5-(2-pyrazol-1-ylpyridin-4-yl)benzonitrile
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| Structure |
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| Formula |
C16H12N4
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| Molecular Weight |
260.3
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| Canonical SMILES |
Cc1cc(cc(c1)-c1ccnc(c1)-n1cccn1)C#N
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| InChI |
InChI=1S/C16H12N4/c1-12-7-13(11-17)9-15(8-12)14-3-5-18-16(10-14)20-6-2-4-19-20/h2-10H,1H3
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| InChIKey |
UNXZNHBCTMVLPT-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