General Information of the Compound
| Compound ID |
CP0958178
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| Compound Name |
N-Benzyl-3-[8-fluoro-4-(pyridin-3-yl)quinolin-6-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C29H20FN5O
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| Molecular Weight |
473.511
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| Canonical SMILES |
O=C(NCc1ccccc1)c1cnc2[nH]cc(-c3cc(F)c4nccc(-c5cccnc5)c4c3)c2c1
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| InChI |
InChI=1S/C29H20FN5O/c30-26-13-20(11-23-22(8-10-32-27(23)26)19-7-4-9-31-15-19)25-17-34-28-24(25)12-21(16-33-28)29(36)35-14-18-5-2-1-3-6-18/h1-13,15-17H,14H2,(H,33,34)(H,35,36)
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| InChIKey |
JREVRFYRPJSEHC-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