General Information of the Compound
| Compound ID |
CP0066095
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2'-fluorobiphenyl-4-yl)-3-(4-(piperidin-1-yl)butyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28FN3O
|
||||||||||||||||||
| Molecular Weight |
369.484
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccccc1-c1ccc(NC(=O)NCCCCN2CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28FN3O/c23-21-9-3-2-8-20(21)18-10-12-19(13-11-18)25-22(27)24-14-4-7-17-26-15-5-1-6-16-26/h2-3,8-13H,1,4-7,14-17H2,(H2,24,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OXIAXPOOKVTTDN-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: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT02118, Neuronal acetylcholine receptor subunit alpha-7