General Information of the Compound
| Compound ID |
CP0415799
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23ClN2O3
|
||||||||||||||||||
| Molecular Weight |
374.868
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23ClN2O3/c1-25-18-6-2-16(3-7-18)20(24)23-12-10-22(11-13-23)14-15-26-19-8-4-17(21)5-9-19/h2-9H,10-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VEVXEIFEZQIXSC-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT02768, Potassium voltage-gated channel subfamily A member 5