<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">335604</id>
  <title nil="true"/>
  <common-name>(e)-3-(4-chlorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]prop-2-en-1-one</common-name>
  <description>(e)-3-(4-chlorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]prop-2-en-1-one is a chemical compound with the formula C23H24ClNO5. It has an average molecular weight of 429.90 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>6434285</pubchem-id>
  <chemical-formula>C23H24ClNO5</chemical-formula>
  <weight>429.9</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">2026-08-30T17:48:33Z</created-at>
  <updated-at type="dateTime">2026-08-30T17:48:33Z</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>CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(=O)C=CC3=CC=C(C=C3)Cl)OC)OC</moldb-smiles>
  <moldb-formula>C23H24ClNO5</moldb-formula>
  <moldb-inchi>InChI=1S/C23H24ClNO5/c1-25(2)12-14-30-22-19(18(26)10-7-15-5-8-16(24)9-6-15)20(27-3)17-11-13-29-21(17)23(22)28-4/h5-11,13H,12,14H2,1-4H3/b10-7+</moldb-inchi>
  <moldb-inchikey>ZVPUIHHYSAPOLZ-JXMROGBWSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">429.1343006</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.7</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>CHEM331497</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>(e)-3-(4-chlorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]prop-2-en-1-one</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>Phenylpropanoids and polyketides</superklass>
  <klass>Linear 1,3-diarylpropanoids</klass>
  <subklass>Chalcones and dihydrochalcones</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0286074</sync-id>
  <structure-inchikey>ZVPUIHHYSAPOLZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40041000000000000800000000000040000000200000000010080000001000000000000000000000400000000000000000000000000000000000000000200000000000000400000200000000000000028800000000700000000000000000000001000010080001040000000024000000000000000000000000000000000000000000040020000002000000000000000100000000000000000400000000000000020080000000000840000080000000000000010080000800000000000000082000000000000010000000000000000100010000000000000000200000000000000044000010000000040000000000400000005000000000000000000004000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�������������������� ���€���`������� ������`�������`�������`�������(������@(������@(������@(������@(������@h�������@h�������@(������@(������@(�������(�������(�������h��������h�������@(������@h�������@h�������@(������@h�������@h�������� ������(�������`�������(�������`����������������������� ��h���h��	h�	
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	��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:37:17Z</structure-indexed-at>
</compound>
