General Information of the Compound
| Compound ID |
CP0462740
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9051311, 21
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18F3N5O2S2
|
||||||||||||||||||
| Molecular Weight |
517.558
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(-c2cccc3CN(CCc23)S(=O)(=O)Nc2ncns2)c(c1)-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18F3N5O2S2/c24-23(25,26)17-6-7-20(21(11-17)15-4-2-9-27-12-15)19-5-1-3-16-13-31(10-8-18(16)19)35(32,33)30-22-28-14-29-34-22/h1-7,9,11-12,14H,8,10,13H2,(H,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YYUNKAYCHCSHMW-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