General Information of the Compound
| Compound ID |
CP0483845
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9012443, 375
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H13F3N4O5S2
|
||||||||||||||||||
| Molecular Weight |
534.497
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)C(=O)ON(c1nccs1)S(=O)(=O)c1ccc2c(nccc2c1)-c1ccccc1OCC#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H13F3N4O5S2/c23-22(24,25)20(30)34-29(21-28-10-12-35-21)36(31,32)15-5-6-16-14(13-15)7-9-27-19(16)17-3-1-2-4-18(17)33-11-8-26/h1-7,9-10,12-13H,11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
OPVNJVVBYQITKX-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