General Information of the Compound
| Compound ID |
CP0458170
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-benzyl-1-[3-(3,4-dimethoxyphenyl)propyl]piperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H31NO2
|
||||||||||||||||||
| Molecular Weight |
353.506
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CCCN2CCC(Cc3ccccc3)CC2)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H31NO2/c1-25-22-11-10-20(18-23(22)26-2)9-6-14-24-15-12-21(13-16-24)17-19-7-4-3-5-8-19/h3-5,7-8,10-11,18,21H,6,9,12-17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UWXCCZITYWUQSN-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