General Information of the Compound
| Compound ID |
CP0435587
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| Compound Name |
3-methyl-4-[2-[(3-pyridin-2-yl-1H-pyrazol-5-yl)methylamino]pyridin-4-yl]benzonitrile
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| Structure |
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| Formula |
C22H18N6
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| Molecular Weight |
366.428
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| Canonical SMILES |
Cc1cc(ccc1-c1ccnc(NCc2cc(n[nH]2)-c2ccccn2)c1)C#N
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| InChI |
InChI=1S/C22H18N6/c1-15-10-16(13-23)5-6-19(15)17-7-9-25-22(11-17)26-14-18-12-21(28-27-18)20-4-2-3-8-24-20/h2-12H,14H2,1H3,(H,25,26)(H,27,28)
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| InChIKey |
OLMXTAAQPGWESS-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