General Information of the Compound
| Compound ID |
CP0512457
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-tert-butylphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Formula |
C26H38ClN3O2
|
||||||||||||||||||
| Molecular Weight |
460.062
|
||||||||||||||||||
| Canonical SMILES |
Cl.COc1ccccc1N1CCN(CCCCC(=O)Nc2cccc(c2)C(C)(C)C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H37N3O2.ClH/c1-26(2,3)21-10-9-11-22(20-21)27-25(30)14-7-8-15-28-16-18-29(19-17-28)23-12-5-6-13-24(23)31-4;/h5-6,9-13,20H,7-8,14-19H2,1-4H3,(H,27,30);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
XUJYAEADYYOKAA-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