General Information of the Compound
| Compound ID |
CP0119047
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-ethoxyphenyl)-4-[3-(3-phenylpropoxy)propyl]piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H34N2O2
|
||||||||||||||||||
| Molecular Weight |
382.548
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccccc1N1CCN(CCCOCCCc2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H34N2O2/c1-2-28-24-14-7-6-13-23(24)26-18-16-25(17-19-26)15-9-21-27-20-8-12-22-10-4-3-5-11-22/h3-7,10-11,13-14H,2,8-9,12,15-21H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XFRQWFRRENAYEX-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