General Information of the Compound
| Compound ID |
CP0376750
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[4-(2-hydroxyethoxy)phenyl]methyl]-6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]hexanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H41N3O4
|
||||||||||||||||||
| Molecular Weight |
531.697
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OCCO)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H41N3O4/c1-38-28-16-12-27(13-17-28)30-7-4-5-8-31(30)35-21-19-34(20-22-35)18-6-2-3-9-32(37)33-25-26-10-14-29(15-11-26)39-24-23-36/h4-5,7-8,10-17,36H,2-3,6,9,18-25H2,1H3,(H,33,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BTTMPMPJNCTVFY-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor