PDB CCD ID: | 4HY |
Number of entries in BioLiP: | 19 |
Chemical formula: | C14 H9 I3 O4 |
InChI: | InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20) |
InChIKey: | UOWZUVNAGUAEQC-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 10.04 | Ic2cc(Oc1c(I)cc(cc1I)CC(=O)O)ccc2O | CACTVS 3.341 | OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 | OpenEye OEToolkits 1.5.0 | c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O |
|
Name: | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID |
ChEMBL: | CHEMBL41632 |
DrugBank: | DB03604 |
ZINC: | ZINC000004217580 |