General Information of the Compound
| Compound ID |
CP0486215
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[4-[(1-butyltriazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H35N5O3
|
||||||||||||||||||
| Molecular Weight |
465.598
|
||||||||||||||||||
| Canonical SMILES |
CCCCn1cc(COc2ccc(CN3CCN(CC3)c3ccccc3OC)cc2OC)nn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H35N5O3/c1-4-5-12-31-19-22(27-28-31)20-34-25-11-10-21(17-26(25)33-3)18-29-13-15-30(16-14-29)23-8-6-7-9-24(23)32-2/h6-11,17,19H,4-5,12-16,18,20H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DXCOQJVYSXJFAX-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
Protein ID: PT01161, D(4) dopamine receptor