General Information of the Compound
| Compound ID |
CP0961941
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[8-Fluoro-4-(2-phenylethyl)quinolin-6-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H21FN4O
|
||||||||||||||||||
| Molecular Weight |
424.479
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1cnc2[nH]cc(-c3cc(F)c4nccc(CCc5ccccc5)c4c3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H21FN4O/c1-28-26(32)19-12-21-22(15-31-25(21)30-14-19)18-11-20-17(8-7-16-5-3-2-4-6-16)9-10-29-24(20)23(27)13-18/h2-6,9-15H,7-8H2,1H3,(H,28,32)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IQGRKLZSRNFPGE-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