General Information of the Compound
| Compound ID |
CP0452963
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-methoxyphenyl)-4-[4-[4-(4-phenylphenyl)triazol-1-yl]butyl]piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33N5O
|
||||||||||||||||||
| Molecular Weight |
467.617
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CCCCn2cc(nn2)-c2ccc(cc2)-c2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33N5O/c1-35-29-12-6-5-11-28(29)33-21-19-32(20-22-33)17-7-8-18-34-23-27(30-31-34)26-15-13-25(14-16-26)24-9-3-2-4-10-24/h2-6,9-16,23H,7-8,17-22H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ATOMZLGTVBAGNB-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