General Information of the Compound
| Compound ID |
CP0515288
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23F4N3O5S
|
||||||||||||||||||
| Molecular Weight |
493.479
|
||||||||||||||||||
| Canonical SMILES |
COCCOc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23F4N3O5S/c1-12(13-4-6-16(15(21)10-13)27-33(3,29)30)18(28)25-11-14-5-7-17(20(22,23)24)26-19(14)32-9-8-31-2/h4-7,10,12,27H,8-9,11H2,1-3H3,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FYBAJWBERSHHTP-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