General Information of the Compound
| Compound ID |
CP0086690
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[(3S,4R)-4-(4-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20ClF5N4O3S2
|
||||||||||||||||||
| Molecular Weight |
583.004
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(c(F)cc1OC[C@@H]1CN(CC(F)(F)F)CC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20ClF5N4O3S2/c23-15-3-1-13(2-4-15)16-5-6-32(11-22(26,27)28)9-14(16)10-35-19-7-18(25)20(8-17(19)24)37(33,34)31-21-29-12-30-36-21/h1-4,7-8,12,14,16H,5-6,9-11H2,(H,29,30,31)/t14-,16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OWHQKZMRBOBBBR-HOCLYGCPSA-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