General Information of the Compound
| Compound ID |
CP0384619
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}pentyl-4-(2'-methoxyphenyl)piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H40N2O3
|
||||||||||||||||||
| Molecular Weight |
488.672
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(CCc2ccccc2OCCCCCN2CCN(CC2)c2ccccc2OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H40N2O3/c1-34-28-13-10-11-26(25-28)17-18-27-12-4-6-15-30(27)36-24-9-3-8-19-32-20-22-33(23-21-32)29-14-5-7-16-31(29)35-2/h4-7,10-16,25H,3,8-9,17-24H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YGTRMXKFXMERRE-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