General Information of the Compound
| Compound ID |
CP0492120
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(13aS)-12-bromo-9-hexoxy-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30BrNO4
|
||||||||||||||||||
| Molecular Weight |
476.411
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCOc1c(O)cc(Br)c2C[C@@H]3N(CCc4cc(OC)c(O)cc34)Cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30BrNO4/c1-3-4-5-6-9-30-24-18-14-26-8-7-15-10-23(29-2)21(27)12-16(15)20(26)11-17(18)19(25)13-22(24)28/h10,12-13,20,27-28H,3-9,11,14H2,1-2H3/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VYGXIFKVFAKJNM-FQEVSTJZSA-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
Protein ID: PT00943, D(3) dopamine receptor