General Information of the Compound
| Compound ID |
CP0490916
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-N-pentylsulfonylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33ClF3N3O6S
|
||||||||||||||||||
| Molecular Weight |
608.079
|
||||||||||||||||||
| Canonical SMILES |
CCCCCS(=O)(=O)NC(=O)CCc1ccc(OCC(=O)N(CC)CC)cc1Oc1ncc(cc1Cl)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33ClF3N3O6S/c1-4-7-8-13-40(36,37)32-23(34)12-10-18-9-11-20(38-17-24(35)33(5-2)6-3)15-22(18)39-25-21(27)14-19(16-31-25)26(28,29)30/h9,11,14-16H,4-8,10,12-13,17H2,1-3H3,(H,32,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJYLTDWYLMHVJL-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