General Information of the Compound
| Compound ID |
CP0845828
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-3-Methyl-1,6-di-(m-tolyl)-2,3,4,5-tetrahydro-1Hbenzo[d]azepine-7,8-diol hydrobromide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28BrNO2
|
||||||||||||||||||
| Molecular Weight |
454.408
|
||||||||||||||||||
| Canonical SMILES |
Br.Cc1cccc(-c2c(O)c(O)cc3c2CCN(C)CC3c2cccc(C)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27NO2.BrH/c1-16-6-4-8-18(12-16)22-15-26(3)11-10-20-21(22)14-23(27)25(28)24(20)19-9-5-7-17(2)13-19;/h4-9,12-14,22,27-28H,10-11,15H2,1-3H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
WKXBRVOJFDBSLP-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