General Information of the Compound
| Compound ID |
CP0433626
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-ethoxy-N-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27FN2O3
|
||||||||||||||||||
| Molecular Weight |
386.467
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccccc1C(=O)NC1CCN(CCOc2cccc(F)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27FN2O3/c1-2-27-21-9-4-3-8-20(21)22(26)24-18-10-12-25(13-11-18)14-15-28-19-7-5-6-17(23)16-19/h3-9,16,18H,2,10-15H2,1H3,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AMFHRDQSGJPBOQ-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor