General Information of the Compound
| Compound ID |
CP0489259
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(13aS)-1,3,9,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25NO5
|
||||||||||||||||||
| Molecular Weight |
371.433
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2C[C@@H]3N(CCc4cc(OC)c(O)c(OC)c34)Cc2c(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25NO5/c1-24-14-7-13-8-16-19-12(9-18(26-3)20(23)21(19)27-4)5-6-22(16)11-15(13)17(10-14)25-2/h7,9-10,16,23H,5-6,8,11H2,1-4H3/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
COLMLJLOZPVXNR-INIZCTEOSA-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