General Information of the Compound
| Compound ID |
CP0473340
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-[4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]phenoxy]propyl]piperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H46N2O2
|
||||||||||||||||||
| Molecular Weight |
478.721
|
||||||||||||||||||
| Canonical SMILES |
C(COc1ccc(CCCc2ccc(OCCCN3CCCCC3)cc2)cc1)CN1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H46N2O2/c1-3-20-32(21-4-1)24-8-26-34-30-16-12-28(13-17-30)10-7-11-29-14-18-31(19-15-29)35-27-9-25-33-22-5-2-6-23-33/h12-19H,1-11,20-27H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
LUHSSVFDEXUDFO-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