General Information of the Compound
| Compound ID |
CP0374098
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}propyl-4-(2'-pyrimidyl)piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32N4O2
|
||||||||||||||||||
| Molecular Weight |
432.568
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(CCc2ccccc2OCCCN2CCN(CC2)c2ncccn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32N4O2/c1-31-24-9-4-7-22(21-24)11-12-23-8-2-3-10-25(23)32-20-6-15-29-16-18-30(19-17-29)26-27-13-5-14-28-26/h2-5,7-10,13-14,21H,6,11-12,15-20H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CYDGNUMWYIAVLK-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