General Information of the Compound
| Compound ID |
CP0388689
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(3-Methoxy-phenyl)-butyl]-4-pyridin-2-yl-piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H27N3O
|
||||||||||||||||||
| Molecular Weight |
325.456
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(CCCCN2CCN(CC2)c2ccccn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H27N3O/c1-24-19-9-6-8-18(17-19)7-3-5-12-22-13-15-23(16-14-22)20-10-2-4-11-21-20/h2,4,6,8-11,17H,3,5,7,12-16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UYALMDJMDUJNMA-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