General Information of the Compound
| Compound ID |
CP0490608
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-methoxyphenyl)-4-[5-[1-(2-methoxyphenyl)triazol-4-yl]pentyl]piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H33N5O2
|
||||||||||||||||||
| Molecular Weight |
435.572
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccccc2OC)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H33N5O2/c1-31-24-13-7-5-11-22(24)29-18-16-28(17-19-29)15-9-3-4-10-21-20-30(27-26-21)23-12-6-8-14-25(23)32-2/h5-8,11-14,20H,3-4,9-10,15-19H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XLWMSPHJQIPEOR-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