General Information of the Compound
| Compound ID |
CP0322007
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[6-(5-aminopyrazin-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20N8O
|
||||||||||||||||||
| Molecular Weight |
400.446
|
||||||||||||||||||
| Canonical SMILES |
Nc1cnc(cn1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20N8O/c22-19-13-24-18(12-25-19)17-10-20(28-21(27-17)29-5-7-30-8-6-29)26-15-9-14-3-1-2-4-16(14)23-11-15/h1-4,9-13H,5-8H2,(H2,22,25)(H,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GTSVWFMEUUHFOQ-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 = 360 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|