General Information of the Compound
| Compound ID |
CP0541899
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[[4-(4-ethylphenyl)thiophen-3-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26O3S
|
||||||||||||||||||
| Molecular Weight |
394.536
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(cc1)-c1cscc1COc1ccc(CCC(O)=O)c(C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26O3S/c1-4-18-5-7-20(8-6-18)22-15-28-14-21(22)13-27-23-11-9-19(10-12-24(25)26)16(2)17(23)3/h5-9,11,14-15H,4,10,12-13H2,1-3H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XQURLMCEIDIKDY-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