General Information of the Compound
| Compound ID |
CP0417836
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(4-ethylphenyl)-2-(2-methoxyphenyl)thiazol-5-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19NO3S
|
||||||||||||||||||
| Molecular Weight |
353.443
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(cc1)-c1nc(sc1CC(O)=O)-c1ccccc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19NO3S/c1-3-13-8-10-14(11-9-13)19-17(12-18(22)23)25-20(21-19)15-6-4-5-7-16(15)24-2/h4-11H,3,12H2,1-2H3,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XIUQHSXLOAMGAZ-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