General Information of the Compound
| Compound ID |
CP0375071
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}butyl-4-(2'-methoxyphenyl)piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H38N2O3
|
||||||||||||||||||
| Molecular Weight |
474.645
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(CCc2ccccc2OCCCCN2CCN(CC2)c2ccccc2OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H38N2O3/c1-33-27-12-9-10-25(24-27)16-17-26-11-3-5-14-29(26)35-23-8-7-18-31-19-21-32(22-20-31)28-13-4-6-15-30(28)34-2/h3-6,9-15,24H,7-8,16-23H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HPZUBMVVAGACEL-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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT01005, D(2) dopamine receptor