General Information of the Compound
| Compound ID |
CP0448651
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-2-fluoro-4-[(5-pyridin-4-yl-1,2,3,6-tetrahydropyridin-6-yl)methoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18ClFN4O3S2
|
||||||||||||||||||
| Molecular Weight |
480.974
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(OCC2NCCC=C2c2ccncc2)c(Cl)cc1S(=O)(=O)Nc1cscn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18ClFN4O3S2/c21-15-8-19(31(27,28)26-20-11-30-12-25-20)16(22)9-18(15)29-10-17-14(2-1-5-24-17)13-3-6-23-7-4-13/h2-4,6-9,11-12,17,24,26H,1,5,10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
GCWJWZUKVARVMV-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