General Information of the Compound
| Compound ID |
CP0538820
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1-bicyclo[3.3.1]non-9-yl-piperidin-4-yl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33BrN2O2
|
||||||||||||||||||
| Molecular Weight |
485.466
|
||||||||||||||||||
| Canonical SMILES |
COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1C2CCCC1CCC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33BrN2O2/c1-31-25-21-11-3-2-10-20(21)23(27)16-22(25)26(30)28-19-12-14-29(15-13-19)24-17-6-4-7-18(24)9-5-8-17/h2-3,10-11,16-19,24H,4-9,12-15H2,1H3,(H,28,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PDTZJFWZZFJDIT-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