General Information of the Compound
| Compound ID |
CP0001104
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,6-difluoro-4-[[2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23F3N4O2S2
|
||||||||||||||||||
| Molecular Weight |
484.569
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ANGUVPSJNSWBFO-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: PT01552, Nuclear receptor subfamily 1 group I member 2
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2