General Information of the Compound
| Compound ID |
CP0410554
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]triazol-1-yl]phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27N5O2
|
||||||||||||||||||
| Molecular Weight |
393.491
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccccc2O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N5O2/c1-29-22-11-5-3-9-20(22)26-15-13-25(14-16-26)12-6-7-18-17-27(24-23-18)19-8-2-4-10-21(19)28/h2-5,8-11,17,28H,6-7,12-16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GEGLEQALPLAWHZ-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