General Information of the Compound
| Compound ID |
CP0541049
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-fluoro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]azetidin-3-yl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25FN2O3S
|
||||||||||||||||||
| Molecular Weight |
392.496
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccccc1OCCN1CC(C1)NS(=O)(=O)c1cccc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25FN2O3S/c1-15(2)19-8-3-4-9-20(19)26-11-10-23-13-17(14-23)22-27(24,25)18-7-5-6-16(21)12-18/h3-9,12,15,17,22H,10-11,13-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GVXPQDLBKKPLNX-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