General Information of the Compound
| Compound ID |
CP0287208
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-morpholin-4-yl-6-pyrazin-2-ylpyrimidin-4-yl)quinolin-3-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19N7O
|
||||||||||||||||||
| Molecular Weight |
385.431
|
||||||||||||||||||
| Canonical SMILES |
C1CN(CCO1)c1nc(Nc2cnc3ccccc3c2)cc(n1)-c1cnccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19N7O/c1-2-4-17-15(3-1)11-16(13-24-17)25-20-12-18(19-14-22-5-6-23-19)26-21(27-20)28-7-9-29-10-8-28/h1-6,11-14H,7-10H2,(H,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RPVDBMPBQDMVTR-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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000072 | A2780 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 590 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|