General Information of the Compound
| Compound ID |
CP0486487
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Formula |
C26H38ClN3O2
|
||||||||||||||||||
| Molecular Weight |
460.062
|
||||||||||||||||||
| Canonical SMILES |
Cl.COc1ccccc1N1CCN(CCCCCC(=O)Nc2ccc(cc2)C(C)C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H37N3O2.ClH/c1-21(2)22-12-14-23(15-13-22)27-26(30)11-5-4-8-16-28-17-19-29(20-18-28)24-9-6-7-10-25(24)31-3;/h6-7,9-10,12-15,21H,4-5,8,11,16-20H2,1-3H3,(H,27,30);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
XVAGFQLCFQWGDL-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7