General Information of the Compound
| Compound ID |
CP0437431
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(4-Methoxy-benzyl)-piperidin-1-yl]-3-(naphthalen-1-yloxy)-propan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31NO3
|
||||||||||||||||||
| Molecular Weight |
405.538
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CC2CCN(CC(O)COc3cccc4ccccc34)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31NO3/c1-29-24-11-9-20(10-12-24)17-21-13-15-27(16-14-21)18-23(28)19-30-26-8-4-6-22-5-2-3-7-25(22)26/h2-12,21,23,28H,13-19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJAHWQQVSJQCHI-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