General Information of the Compound
| Compound ID |
CP0453904
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,5-bis-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-ethyl]phenoxy]pentane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C43H56N4O4
|
||||||||||||||||||
| Molecular Weight |
692.945
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CCc2cccc(OCCCCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C43H56N4O4/c1-48-42-18-6-4-16-40(42)46-28-24-44(25-29-46)22-20-36-12-10-14-38(34-36)50-32-8-3-9-33-51-39-15-11-13-37(35-39)21-23-45-26-30-47(31-27-45)41-17-5-7-19-43(41)49-2/h4-7,10-19,34-35H,3,8-9,20-33H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KRKHKSLETVBBMO-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