General Information of the Compound
| Compound ID |
CP0478229
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(4-Methoxy-phenylsulfanyl)-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20N2OS
|
||||||||||||||||||
| Molecular Weight |
312.438
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Sc2ccc3CC4CNCCN4c3c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20N2OS/c1-21-15-3-6-16(7-4-15)22-17-5-2-13-10-14-12-19-8-9-20(14)18(13)11-17/h2-7,11,14,19H,8-10,12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SAJFXZZEHBROCT-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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01354, 5-hydroxytryptamine receptor 6