General Information of the Compound
| Compound ID |
CP0522221
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9346798, 200
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H17FN4O3S2
|
||||||||||||||||||
| Molecular Weight |
492.557
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(c1)-c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H17FN4O3S2/c25-19-3-1-2-16(13-19)17-4-6-21(18(12-17)15-26)29-9-10-32-23-14-20(5-7-22(23)29)34(30,31)28-24-27-8-11-33-24/h1-8,11-14H,9-10H2,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WFAAJGGDSHOXSH-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