General Information of the Compound
| Compound ID |
CP0092295
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[4-(pyridin-2-yl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H34N4O
|
||||||||||||||||||
| Molecular Weight |
406.574
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCCCCN1CCN(CC1)c1ccccn1)NC1CCCc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H34N4O/c30-25(27-23-12-8-10-21-9-3-4-11-22(21)23)14-2-1-7-16-28-17-19-29(20-18-28)24-13-5-6-15-26-24/h3-6,9,11,13,15,23H,1-2,7-8,10,12,14,16-20H2,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XJYAXSYLDGSUII-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: PT01746, 5-hydroxytryptamine receptor 7