General Information of the Compound
| Compound ID |
CP0530254
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3,5-Dimethoxy-benzyloxymethyl)-4-phenyl-piperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27NO3
|
||||||||||||||||||
| Molecular Weight |
341.451
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(COCC2(CCNCC2)c2ccccc2)cc(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27NO3/c1-23-19-12-17(13-20(14-19)24-2)15-25-16-21(8-10-22-11-9-21)18-6-4-3-5-7-18/h3-7,12-14,22H,8-11,15-16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VWWCVKHTTUEFDI-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