General Information of the Compound
| Compound ID |
CP0382106
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(2-ethoxyphenoxy)-6-methylpyridin-3-yl]-N,N-dimethylmethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H22N2O2
|
||||||||||||||||||
| Molecular Weight |
286.375
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccccc1Oc1cc(C)ncc1CN(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H22N2O2/c1-5-20-15-8-6-7-9-16(15)21-17-10-13(2)18-11-14(17)12-19(3)4/h6-11H,5,12H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HGZVDXQCKWQIFI-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