General Information of the Compound
| Compound ID |
CP0904269
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
rac-2-(4-Phenylacetyl-phenoxy)-3-phenyl-propanoic Acid Sodium Salt
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19NaO4
|
||||||||||||||||||
| Molecular Weight |
382.391
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cc1ccccc1)c1ccc(OC(Cc2ccccc2)C(=O)[O-])cc1.[Na+]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20O4.Na/c24-21(15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)27-22(23(25)26)16-18-9-5-2-6-10-18;/h1-14,22H,15-16H2,(H,25,26);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VOIXZEIJDMFVLR-UHFFFAOYSA-M
|
||||||||||||||||||
| 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: PT00915, Peroxisome proliferator-activated receptor gamma