General Information of the Compound
| Compound ID |
CP0456817
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27BrN2O4
|
||||||||||||||||||
| Molecular Weight |
499.405
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)Cc2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27BrN2O4/c1-30-22-12-16-8-10-28(15-17(16)13-23(22)31-2)11-9-27-25(29)20-14-21(26)18-6-4-5-7-19(18)24(20)32-3/h4-7,12-14H,8-11,15H2,1-3H3,(H,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NJTZXTZDMKNNIW-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor