General Information of the Compound
| Compound ID |
CP0441213
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9346798, 201
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H20FN3O4S2
|
||||||||||||||||||
| Molecular Weight |
497.573
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)-c1cccc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20FN3O4S2/c1-31-22-14-17(16-3-2-4-18(25)13-16)5-7-20(22)28-10-11-32-23-15-19(6-8-21(23)28)34(29,30)27-24-26-9-12-33-24/h2-9,12-15H,10-11H2,1H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UOMBPTKGGPSRLC-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: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha