General Information of the Compound
| Compound ID |
CP0451331
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10399958, Compound 2e
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25F3N2O4
|
||||||||||||||||||
| Molecular Weight |
474.479
|
||||||||||||||||||
| Canonical SMILES |
C\C(CCC(O)=O)=C/COc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25F3N2O4/c1-17(7-12-23(31)32)13-14-33-22-6-4-3-5-20(22)16-30-18(2)15-29-24(30)19-8-10-21(11-9-19)34-25(26,27)28/h3-6,8-11,13,15H,7,12,14,16H2,1-2H3,(H,31,32)/b17-13+
Show/Hide
|
||||||||||||||||||
| InChIKey |
LKBNNCNNGBRSKP-GHRIWEEISA-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