General Information of the Compound
| Compound ID |
CP0527649
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-6-[2-[[2-[4-(difluoromethoxy)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28F2N2O4
|
||||||||||||||||||
| Molecular Weight |
458.505
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)F)cc1)CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28F2N2O4/c1-17(14-23(30)31)6-5-13-32-22-8-4-3-7-20(22)16-29-18(2)15-28-24(29)19-9-11-21(12-10-19)33-25(26)27/h3-4,7-12,15,17,25H,5-6,13-14,16H2,1-2H3,(H,30,31)/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IMECUCANUVGFRR-QGZVFWFLSA-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