General Information of the Compound
| Compound ID |
CP0868382
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[8-Fluoro-4-(pyridin-3-yl)quinolin-6-yl]-N-methyl-N-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H20FN5O
|
||||||||||||||||||
| Molecular Weight |
437.478
|
||||||||||||||||||
| Canonical SMILES |
C=CCN(C)C(=O)c1cnc2[nH]cc(-c3cc(F)c4nccc(-c5cccnc5)c4c3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H20FN5O/c1-3-9-32(2)26(33)18-11-21-22(15-31-25(21)30-14-18)17-10-20-19(16-5-4-7-28-13-16)6-8-29-24(20)23(27)12-17/h3-8,10-15H,1,9H2,2H3,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AZOQPXZHXMVWNF-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
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