General Information of the Compound
| Compound ID |
CP0467382
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(2-piperidin-1-ylethoxy)phenyl]sulfonyl-3-[4-(trifluoromethyl)phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24F3N3O4S
|
||||||||||||||||||
| Molecular Weight |
471.501
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCN3CCCCC3)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24F3N3O4S/c22-21(23,24)16-4-6-17(7-5-16)25-20(28)26-32(29,30)19-10-8-18(9-11-19)31-15-14-27-12-2-1-3-13-27/h4-11H,1-3,12-15H2,(H2,25,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KAXHDAWOICTJEV-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: PT01194, Histamine H3 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2