General Information of the Compound
| Compound ID |
CP0564979
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[(Z)-[6-(cyclopropylmethoxy)-3-oxo-1-benzofuran-2-ylidene]methyl]-2,6-dimethylphenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22O6
|
||||||||||||||||||
| Molecular Weight |
394.423
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(\C=C2/Oc3cc(OCC4CC4)ccc3C2=O)cc(C)c1OCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22O6/c1-13-7-16(8-14(2)23(13)28-12-21(24)25)9-20-22(26)18-6-5-17(10-19(18)29-20)27-11-15-3-4-15/h5-10,15H,3-4,11-12H2,1-2H3,(H,24,25)/b20-9-
Show/Hide
|
||||||||||||||||||
| InChIKey |
YINSSTHMVMHBLE-UKWGHVSLSA-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