General Information of the Compound
| Compound ID |
CP0427266
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6aR)-1-bromo-10,11-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20BrNO2
|
||||||||||||||||||
| Molecular Weight |
374.278
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2C[C@H]3N(C)CCc4ccc(Br)c(c34)-c2c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20BrNO2/c1-21-9-8-11-4-6-13(20)18-16(11)14(21)10-12-5-7-15(22-2)19(23-3)17(12)18/h4-7,14H,8-10H2,1-3H3/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BEKOHGQOLPINNR-CQSZACIVSA-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