General Information of the Compound
| Compound ID |
CP0376354
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 2-[4-[3-(6-acetyl-5-hydroxy-4-propylpyridin-3-yl)oxypropoxy]phenoxy]acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27NO7
|
||||||||||||||||||
| Molecular Weight |
417.458
|
||||||||||||||||||
| Canonical SMILES |
CCCc1c(OCCCOc2ccc(OCC(=O)OC)cc2)cnc(C(C)=O)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27NO7/c1-4-6-18-19(13-23-21(15(2)24)22(18)26)29-12-5-11-28-16-7-9-17(10-8-16)30-14-20(25)27-3/h7-10,13,26H,4-6,11-12,14H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HVEBZNLWMFBMFA-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
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma