General Information of the Compound
| Compound ID |
CP0382675
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-chloro-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6(2H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H12ClN3O
|
||||||||||||||||||
| Molecular Weight |
237.69
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc2N3CCNCC3NC(=O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H12ClN3O/c12-7-1-2-9-8(5-7)11(16)14-10-6-13-3-4-15(9)10/h1-2,5,10,13H,3-4,6H2,(H,14,16)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CWJOBEOKOYQOQU-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C