General Information of the Compound
| Compound ID |
CP0500975
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Phenyl-penta-2,4-dienoic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33N3O2
|
||||||||||||||||||
| Molecular Weight |
419.569
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)\C=C\C=C\c2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33N3O2/c1-31-25-15-7-6-14-24(25)29-21-19-28(20-22-29)18-10-9-17-27-26(30)16-8-5-13-23-11-3-2-4-12-23/h2-8,11-16H,9-10,17-22H2,1H3,(H,27,30)/b13-5+,16-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
IOIJPOKENALSRI-VMUIEEQSSA-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