General Information of the Compound
| Compound ID |
CP0138119
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)hexanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H36N4O2
|
||||||||||||||||||
| Molecular Weight |
472.633
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccccn2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H36N4O2/c1-35-26-15-13-24(14-16-26)27-10-4-5-11-28(27)33-21-19-32(20-22-33)18-8-2-3-12-29(34)31-23-25-9-6-7-17-30-25/h4-7,9-11,13-17H,2-3,8,12,18-23H2,1H3,(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JSQKAYZTFGCBNA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7