General Information of the Compound
| Compound ID |
CP0519227
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9346798, 126
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H13ClF3N3O3S2
|
||||||||||||||||||
| Molecular Weight |
475.901
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(cc1Cl)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H13ClF3N3O3S2/c19-14-9-11(1-3-13(14)18(20,21)22)25-6-7-28-16-10-12(2-4-15(16)25)30(26,27)24-17-23-5-8-29-17/h1-5,8-10H,6-7H2,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PGQPVUNTRHYZJA-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