General Information of the Compound
| Compound ID |
CP0418020
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| Compound Name |
3-((3-(6-Methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-pyrazol-1-yl)methyl)benzonitrile
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| Structure |
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| Formula |
C26H19N5
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| Molecular Weight |
401.473
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| Canonical SMILES |
Cc1cccc(n1)-c1nn(Cc2cccc(c2)C#N)cc1-c1ccc2ncccc2c1
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| InChI |
InChI=1S/C26H19N5/c1-18-5-2-9-25(29-18)26-23(21-10-11-24-22(14-21)8-4-12-28-24)17-31(30-26)16-20-7-3-6-19(13-20)15-27/h2-14,17H,16H2,1H3
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| InChIKey |
XEKBOOWAGDGLKF-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