General Information of the Compound
| Compound ID |
CP0903314
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{3-[(Oxan-4-ylmethyl)amino]quinolin-6-yl}-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H28N6O2
|
||||||||||||||||||
| Molecular Weight |
492.583
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCc1cccnc1)c1cnc2[nH]cc(-c3ccc4ncc(NCC5CCOCC5)cc4c3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H28N6O2/c36-29(35-15-20-2-1-7-30-13-20)23-12-25-26(18-34-28(25)33-16-23)21-3-4-27-22(10-21)11-24(17-32-27)31-14-19-5-8-37-9-6-19/h1-4,7,10-13,16-19,31H,5-6,8-9,14-15H2,(H,33,34)(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WTZMAWLFZDCCGZ-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