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<compound>
  <id type="integer">335421</id>
  <title nil="true"/>
  <common-name>4-[3-[4-[2-(ethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]butanoic acid</common-name>
  <description>4-[3-[4-[2-(ethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]butanoic acid is a chemical compound with the formula C23H23I2NO5. With an average molecular weight of 647.20 g/mol, 4-[3-[4-[2-(ethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]butanoic acid is a heavy molecule.</description>
  <cas>1355969-19-5</cas>
  <pubchem-id>118753236</pubchem-id>
  <chemical-formula>C23H23I2NO5</chemical-formula>
  <weight>647.2</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-30T17:35:34Z</created-at>
  <updated-at type="dateTime">2026-08-30T17:35:34Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCNCCOC1=C(C=C(C=C1I)C(=O)C2=C(OC3=CC=CC=C32)CCCC(=O)O)I</moldb-smiles>
  <moldb-formula>C23H23I2NO5</moldb-formula>
  <moldb-inchi>InChI=1S/C23H23I2NO5/c1-2-26-10-11-30-23-16(24)12-14(13-17(23)25)22(29)21-15-6-3-4-7-18(15)31-19(21)8-5-9-20(27)28/h3-4,6-7,12-13,26H,2,5,8-11H2,1H3,(H,27,28)</moldb-inchi>
  <moldb-inchikey>KBPQHFRENBEXBB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">646.96657</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.9</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM331314</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>4-[3-[4-[2-(ethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]butanoic acid</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbonyl compounds</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0285893</sync-id>
  <structure-inchikey>KBPQHFRENBEXBB-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:37:07Z</structure-indexed-at>
</compound>
