General Information of the Compound
| Compound ID |
CP0314944
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-4-(2-methoxyethoxy)phenyl]-N-pentylsulfonylprop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26ClF3N2O6S
|
||||||||||||||||||
| Molecular Weight |
550.983
|
||||||||||||||||||
| Canonical SMILES |
CCCCCS(=O)(=O)NC(=O)\C=C\c1ccc(OCCOC)cc1Oc1ncc(cc1Cl)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26ClF3N2O6S/c1-3-4-5-12-36(31,32)29-21(30)9-7-16-6-8-18(34-11-10-33-2)14-20(16)35-22-19(24)13-17(15-28-22)23(25,26)27/h6-9,13-15H,3-5,10-12H2,1-2H3,(H,29,30)/b9-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
SCGVVJKHPNMMJC-VQHVLOKHSA-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
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma