General Information of the Compound
| Compound ID |
CP0459260
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-N-pentylsulfonylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22ClF3N2O4S
|
||||||||||||||||||
| Molecular Weight |
478.92
|
||||||||||||||||||
| Canonical SMILES |
CCCCCS(=O)(=O)NC(=O)CCc1ccccc1Oc1ncc(cc1Cl)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22ClF3N2O4S/c1-2-3-6-11-31(28,29)26-18(27)10-9-14-7-4-5-8-17(14)30-19-16(21)12-15(13-25-19)20(22,23)24/h4-5,7-8,12-13H,2-3,6,9-11H2,1H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DVSHFWXFFQZMQX-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