General Information of the Compound
| Compound ID |
CP0959635
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| Compound Name |
3-(8-Fluoroquinolin-6-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C17H11FN4O
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| Molecular Weight |
306.3
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| Canonical SMILES |
NC(=O)c1cnc2[nH]cc(-c3cc(F)c4ncccc4c3)c2c1
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| InChI |
InChI=1S/C17H11FN4O/c18-14-6-10(4-9-2-1-3-20-15(9)14)13-8-22-17-12(13)5-11(7-21-17)16(19)23/h1-8H,(H2,19,23)(H,21,22)
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| InChIKey |
LVZGZIQMEWQNDY-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