General Information of the Compound
| Compound ID |
CP0474295
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]triazol-1-yl]-N,N-dimethylaniline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H36N6O
|
||||||||||||||||||
| Molecular Weight |
448.615
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccc(cc2)N(C)C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H36N6O/c1-29(2)23-12-14-24(15-13-23)32-21-22(27-28-32)9-5-4-8-16-30-17-19-31(20-18-30)25-10-6-7-11-26(25)33-3/h6-7,10-15,21H,4-5,8-9,16-20H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JEFLKZKNAVDDCN-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