General Information of the Compound
| Compound ID |
CP0559803
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,3,11,12-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-10-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25NO5
|
||||||||||||||||||
| Molecular Weight |
371.433
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2CCN3Cc4cc(O)c(OC)c(OC)c4CC3c2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25NO5/c1-24-18-8-12-5-6-22-11-13-7-17(23)21(27-4)20(26-3)15(13)9-16(22)14(12)10-19(18)25-2/h7-8,10,16,23H,5-6,9,11H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NBSPNGNYACXYLH-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor