General Information of the Compound
| Compound ID |
CP0525727
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23F3N2O3S
|
||||||||||||||||||
| Molecular Weight |
428.476
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23F3N2O3S/c21-20(22,23)16-5-4-6-18(15-16)28-14-13-25-11-9-17(10-12-25)24-29(26,27)19-7-2-1-3-8-19/h1-8,15,17,24H,9-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
LNSHLOHDLFVHNP-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: PT00941, 5-hydroxytryptamine receptor 7