General Information of the Compound
| Compound ID |
CP0439942
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-(3,5-dichloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H13Cl2NO3S
|
||||||||||||||||||
| Molecular Weight |
394.279
|
||||||||||||||||||
| Canonical SMILES |
CCOc1c(Cl)cc(cc1Cl)-c1csc(n1)-c1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H13Cl2NO3S/c1-2-24-16-13(19)7-12(8-14(16)20)15-9-25-17(21-15)10-3-5-11(6-4-10)18(22)23/h3-9H,2H2,1H3,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UEAUHRIJWPLYQI-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
Protein ID: PT01621, Retinoic acid receptor alpha
Protein ID: PT02120, Retinoic acid receptor beta
Protein ID: PT02121, Retinoic acid receptor gamma