General Information of the Compound
| Compound ID |
CP0559856
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-benzylpiperazin-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H34N4O2
|
||||||||||||||||||
| Molecular Weight |
422.573
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(=O)CCN1CCN(Cc2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H34N4O2/c1-31-24-10-6-5-9-23(24)28-17-19-29(20-18-28)25(30)11-12-26-13-15-27(16-14-26)21-22-7-3-2-4-8-22/h2-10H,11-21H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AVKAITMKSOAVIE-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