General Information of the Compound
| Compound ID |
CP0956134
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| Compound Name |
3-[8-Fluoro-4-(pyridin-3-yl)quinolin-6-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C28H19FN6O
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| Molecular Weight |
474.499
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| Canonical SMILES |
O=C(NCc1cccnc1)c1cnc2[nH]cc(-c3cc(F)c4nccc(-c5cccnc5)c4c3)c2c1
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| InChI |
InChI=1S/C28H19FN6O/c29-25-11-19(9-22-21(5-8-32-26(22)25)18-4-2-7-31-14-18)24-16-34-27-23(24)10-20(15-33-27)28(36)35-13-17-3-1-6-30-12-17/h1-12,14-16H,13H2,(H,33,34)(H,35,36)
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| InChIKey |
XLCGSUWTGKAGTE-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