General Information of the Compound
| Compound ID |
CP0411404
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9051311, 55
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16BrF3N4O2S
|
||||||||||||||||||
| Molecular Weight |
513.339
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(c(Br)c1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1ccncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16BrF3N4O2S/c21-18-10-14(20(22,23)24)4-5-17(18)16-3-1-2-13-11-28(9-7-15(13)16)31(29,30)27-19-6-8-25-12-26-19/h1-6,8,10,12H,7,9,11H2,(H,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OSFBKXXIDNUQDG-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