General Information of the Compound
| Compound ID |
CP0956137
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| Compound Name |
3-(3-Aminoquinolin-6-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C23H18N6O
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| Molecular Weight |
394.438
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| Canonical SMILES |
Nc1cnc2ccc(-c3c[nH]c4ncc(C(=O)NCc5cccnc5)cc34)cc2c1
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| InChI |
InChI=1S/C23H18N6O/c24-18-7-16-6-15(3-4-21(16)26-12-18)20-13-28-22-19(20)8-17(11-27-22)23(30)29-10-14-2-1-5-25-9-14/h1-9,11-13H,10,24H2,(H,27,28)(H,29,30)
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| InChIKey |
VLPWWNJRDTWOIZ-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