General Information of the Compound
| Compound ID |
CP0377306
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(piperidin-4-ylmethoxy)-2-naphthonitrile
Show/Hide
|
||||||||||||||||||
| Synonyms |
6-(piperidin-4-ylmethoxy)-2-naphthonitrile
CHEMBL469552
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18N2O
|
||||||||||||||||||
| Molecular Weight |
266.344
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1ccc2cc(OCC3CCNCC3)ccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18N2O/c18-11-14-1-2-16-10-17(4-3-15(16)9-14)20-12-13-5-7-19-8-6-13/h1-4,9-10,13,19H,5-8,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
SHJHTXWKDLOBQS-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
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter
Clinical Information about the Compound