General Information of the Compound
| Compound ID |
CP0853710
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3aR,9bS)-6-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5(9bH)-one hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H15ClN2O
|
||||||||||||||||||
| Molecular Weight |
238.718
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc2c1C(=O)N[C@H]1CNC[C@H]21.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H14N2O.ClH/c1-7-3-2-4-8-9-5-13-6-10(9)14-12(15)11(7)8;/h2-4,9-10,13H,5-6H2,1H3,(H,14,15);1H/t9-,10+;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CCFJJHFDZNFADQ-UXQCFNEQSA-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