General Information of the Compound
| Compound ID |
CP0444031
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-[4-[4-[(E)-3-piperidin-1-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H38N2O
|
||||||||||||||||||
| Molecular Weight |
418.625
|
||||||||||||||||||
| Canonical SMILES |
C(COc1ccc(cc1)-c1ccc(\C=C\CN2CCCCC2)cc1)CN1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H38N2O/c1-3-18-29(19-4-1)22-7-9-25-10-12-26(13-11-25)27-14-16-28(17-15-27)31-24-8-23-30-20-5-2-6-21-30/h7,9-17H,1-6,8,18-24H2/b9-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VTCNWWJCRSYLPI-VQHVLOKHSA-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