General Information of the Compound
| Compound ID |
CP0381351
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,5-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24F2N2O3S
|
||||||||||||||||||
| Molecular Weight |
458.53
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(F)c(c1)S(=O)(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24F2N2O3S/c25-19-10-11-22(26)24(16-19)32(29,30)27-20-12-13-28(17-20)14-15-31-23-9-5-4-8-21(23)18-6-2-1-3-7-18/h1-11,16,20,27H,12-15,17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
BJFLRBLSVACLLD-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