General Information of the Compound
| Compound ID |
CP0142590
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-3,4-dihydroisoquinolin-1(2H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31N3O2
|
||||||||||||||||||
| Molecular Weight |
393.531
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CCCCN2CCc3ccccc3C2=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31N3O2/c1-29-23-11-5-4-10-22(23)26-18-16-25(17-19-26)13-6-7-14-27-15-12-20-8-2-3-9-21(20)24(27)28/h2-5,8-11H,6-7,12-19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UIFXLMHCLOJOQC-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: PT01161, D(4) dopamine receptor