General Information of the Compound
| Compound ID |
CP0525117
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9012443, 374
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H13F3N4O3S2
|
||||||||||||||||||
| Molecular Weight |
490.488
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(c(OCC#N)c1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1nccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H13F3N4O3S2/c22-21(23,24)14-1-3-17(18(12-14)31-9-6-25)19-16-4-2-15(11-13(16)5-7-26-19)33(29,30)28-20-27-8-10-32-20/h1-5,7-8,10-12H,9H2,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HZKPWICPJWRVGF-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