General Information of the Compound
| Compound ID |
CP0469045
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| Compound Name |
3-((4-(6-Methylpyridin-2-yl)-5-(quinolin-6-yl)-1H-imidazol-2-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)-c1nc(Cc2cccc(c2)C#N)[nH]c1-c1ccc2ncccc2c1
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| InChI |
InChI=1S/C26H19N5/c1-17-5-2-9-23(29-17)26-25(21-10-11-22-20(15-21)8-4-12-28-22)30-24(31-26)14-18-6-3-7-19(13-18)16-27/h2-13,15H,14H2,1H3,(H,30,31)
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| InChIKey |
BKQOLNVCOGHSPG-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