General Information of the Compound
| Compound ID |
CP0234542
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,5-difluoro-4-[[(3S,4R)-4-(4-fluorophenyl)-6-oxopiperidin-3-yl]methoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17F3N4O4S2
|
||||||||||||||||||
| Molecular Weight |
498.508
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)[C@@H]1CC(=O)NC[C@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17F3N4O4S2/c21-13-3-1-11(2-4-13)14-5-19(28)24-8-12(14)9-31-17-6-16(23)18(7-15(17)22)33(29,30)27-20-25-10-26-32-20/h1-4,6-7,10,12,14H,5,8-9H2,(H,24,28)(H,25,26,27)/t12-,14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KPYUGBIVYQHLTI-JSGCOSHPSA-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