General Information of the Compound
| Compound ID |
CP0870241
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| Compound Name |
3-[8-Fluoro-4-(pyridin-3-yl)quinolin-6-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C23H16FN5O
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| Molecular Weight |
397.413
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| Canonical SMILES |
CNC(=O)c1cnc2[nH]cc(-c3cc(F)c4nccc(-c5cccnc5)c4c3)c2c1
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| InChI |
InChI=1S/C23H16FN5O/c1-25-23(30)15-8-18-19(12-29-22(18)28-11-15)14-7-17-16(13-3-2-5-26-10-13)4-6-27-21(17)20(24)9-14/h2-12H,1H3,(H,25,30)(H,28,29)
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| InChIKey |
GTDNEGKWGVJGLX-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