General Information of the Compound
| Compound ID |
CP0867971
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Trans-6-chloro-9-ethyl-2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5(9bH)-one hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H16Cl2N2O
|
||||||||||||||||||
| Molecular Weight |
287.19
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(Cl)c2c1[C@H]1CNC[C@@H]1NC2=O.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H15ClN2O.ClH/c1-2-7-3-4-9(14)12-11(7)8-5-15-6-10(8)16-13(12)17;/h3-4,8,10,15H,2,5-6H2,1H3,(H,16,17);1H/t8-,10-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TVRYULRVVKKIMV-GNAZCLTHSA-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