General Information of the Compound
| Compound ID |
CP0449628
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Benzyl-1-[3-(naphthalen-1-yloxy)-propyl]-piperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29NO
|
||||||||||||||||||
| Molecular Weight |
359.513
|
||||||||||||||||||
| Canonical SMILES |
C(COc1cccc2ccccc12)CN1CCC(Cc2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29NO/c1-2-8-21(9-3-1)20-22-14-17-26(18-15-22)16-7-19-27-25-13-6-11-23-10-4-5-12-24(23)25/h1-6,8-13,22H,7,14-20H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
UCJSUBMXRPFIJD-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