General Information of the Compound
| Compound ID |
CP0956130
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| Compound Name |
8-Methyl-4-(pyridin-3-yl)-6-{1H-pyrrolo[2,3-b]pyridin-3-yl}quinoline
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| Structure |
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| Formula |
C22H16N4
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| Molecular Weight |
336.398
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| Canonical SMILES |
Cc1cc(-c2c[nH]c3ncccc23)cc2c(-c3cccnc3)ccnc12
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| InChI |
InChI=1S/C22H16N4/c1-14-10-16(20-13-26-22-18(20)5-3-8-25-22)11-19-17(6-9-24-21(14)19)15-4-2-7-23-12-15/h2-13H,1H3,(H,25,26)
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| InChIKey |
WCGVAQKYQAEAIH-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
Protein ID: PT01592, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Protein ID: PT01056, Dual specificity tyrosine-phosphorylation-regulated kinase 1B