General Information of the Compound
| Compound ID |
CP0425221
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-ylphenyl)pentanamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Formula |
C25H36ClN3O2
|
||||||||||||||||||
| Molecular Weight |
446.035
|
||||||||||||||||||
| Canonical SMILES |
Cl.COc1ccccc1N1CCN(CCCCC(=O)Nc2cccc(c2)C(C)C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H35N3O2.ClH/c1-20(2)21-9-8-10-22(19-21)26-25(29)13-6-7-14-27-15-17-28(18-16-27)23-11-4-5-12-24(23)30-3;/h4-5,8-12,19-20H,6-7,13-18H2,1-3H3,(H,26,29);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
SMOYHSVPDPATSS-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 | |||||||||||||||||||
| 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: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7