General Information of the Compound
| Compound ID |
CP0372999
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methoxy]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26N2O
|
||||||||||||||||||
| Molecular Weight |
382.507
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1ccc(OCc2ccc(cc2)-c2ccc(CN3CCCCC3)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26N2O/c27-18-21-8-14-26(15-9-21)29-20-23-6-12-25(13-7-23)24-10-4-22(5-11-24)19-28-16-2-1-3-17-28/h4-15H,1-3,16-17,19-20H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NNPWCJUTCAOEPW-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