General Information of the Compound
| Compound ID |
CP0904376
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-3-Methyl-6-(naphthalen-2-yl)-1-m-tolyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol hydrobromide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28BrNO2
|
||||||||||||||||||
| Molecular Weight |
490.441
|
||||||||||||||||||
| Canonical SMILES |
Br.Cc1cccc(C2CN(C)CCc3c2cc(O)c(O)c3-c2ccc3ccccc3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27NO2.BrH/c1-18-6-5-9-21(14-18)25-17-29(2)13-12-23-24(25)16-26(30)28(31)27(23)22-11-10-19-7-3-4-8-20(19)15-22;/h3-11,14-16,25,30-31H,12-13,17H2,1-2H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
LWWHHIDFSNZETQ-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