General Information of the Compound
| Compound ID |
CP0372021
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-methyl-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6(2H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H15N3O
|
||||||||||||||||||
| Molecular Weight |
217.272
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2N3CCNCC3NC(=O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H15N3O/c1-8-2-3-10-9(6-8)12(16)14-11-7-13-4-5-15(10)11/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,16)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SSFYXMCWGRBLJK-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