General Information of the Compound
| Compound ID |
CP0481484
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8952169, 60
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28FNO4S
|
||||||||||||||||||
| Molecular Weight |
421.534
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28FNO4S/c1-29(26,27)24-21(25)18-7-17(16-2-3-16)20(8-19(18)23)28-12-22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-16H,2-6,9-12H2,1H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FQHDBBOTIYOYLF-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: PT05769, Sodium channel protein type 7 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha