General Information of the Compound
| Compound ID |
CP0444891
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-6-[2-[[2-(4-chloro-3-fluorophenyl)-5-methylimidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26ClFN2O3
|
||||||||||||||||||
| Molecular Weight |
444.934
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(Cl)c(F)c1)CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26ClFN2O3/c1-16(12-23(29)30)6-5-11-31-22-8-4-3-7-19(22)15-28-17(2)14-27-24(28)18-9-10-20(25)21(26)13-18/h3-4,7-10,13-14,16H,5-6,11-12,15H2,1-2H3,(H,29,30)/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZYSIAQDFLFFVJJ-MRXNPFEDSA-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