General Information of the Compound
| Compound ID |
CP0966684
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| Compound Name |
N-Methyl-3-[8-fluoro-4-(4-methylpyridin-3-yl)quinolin-6-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C24H18FN5O
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| Molecular Weight |
411.44
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| Canonical SMILES |
CNC(=O)c1cnc2[nH]cc(-c3cc(F)c4nccc(-c5cnccc5C)c4c3)c2c1
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| InChI |
InChI=1S/C24H18FN5O/c1-13-3-5-27-11-19(13)16-4-6-28-22-17(16)7-14(9-21(22)25)20-12-30-23-18(20)8-15(10-29-23)24(31)26-2/h3-12H,1-2H3,(H,26,31)(H,29,30)
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| InChIKey |
BWNRVFIWRSOYEO-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