General Information of the Compound
| Compound ID |
CP0405640
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-ethoxy-3-(4-(3-hydroxy-3-phenylpropyl)phenyl)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24O4
|
||||||||||||||||||
| Molecular Weight |
328.408
|
||||||||||||||||||
| Canonical SMILES |
CCO[C@@H](Cc1ccc(CCC(O)c2ccccc2)cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24O4/c1-2-24-19(20(22)23)14-16-10-8-15(9-11-16)12-13-18(21)17-6-4-3-5-7-17/h3-11,18-19,21H,2,12-14H2,1H3,(H,22,23)/t18?,19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HFOVQASTMIIFQS-GGYWPGCISA-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: PT00915, Peroxisome proliferator-activated receptor gamma