General Information of the Compound
| Compound ID |
CP0423143
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-4-[(6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methylamino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18ClF3N4O2S2
|
||||||||||||||||||
| Molecular Weight |
466.938
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(NCC23CCCN2CC(F)(F)C3)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18ClF3N4O2S2/c18-11-6-14(29(26,27)24-15-22-3-5-28-15)12(19)7-13(11)23-9-16-2-1-4-25(16)10-17(20,21)8-16/h3,5-7,23H,1-2,4,8-10H2,(H,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YBWCZNQRUSMBRC-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