General Information of the Compound
| Compound ID |
CP0535789
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-4-[[5-(2,4-difluorophenyl)-1,2,3,6-tetrahydropyridin-6-yl]methoxy]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17ClF3N3O3S2
|
||||||||||||||||||
| Molecular Weight |
515.966
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(C2=CCCNC2COc2cc(F)c(cc2Cl)S(=O)(=O)Nc2cscn2)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17ClF3N3O3S2/c22-15-7-20(33(29,30)28-21-10-32-11-27-21)17(25)8-19(15)31-9-18-14(2-1-5-26-18)13-4-3-12(23)6-16(13)24/h2-4,6-8,10-11,18,26,28H,1,5,9H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
CIPHSRORTHJLHG-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