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<compound>
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  <title nil="true"/>
  <common-name>2-[[6,8-dibromo-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]benzoic acid</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3065700</pubchem-id>
  <chemical-formula>C23H16Br2N2O4S</chemical-formula>
  <weight>576.3</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">2026-08-30T15:35:11Z</created-at>
  <updated-at type="dateTime">2026-08-30T15:35:11Z</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>COC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3Br)Br)CSC4=CC=CC=C4C(=O)O</moldb-smiles>
  <moldb-formula>C23H16Br2N2O4S</moldb-formula>
  <moldb-inchi>InChI=1S/C23H16Br2N2O4S/c1-31-18-8-4-3-7-17(18)27-20(12-32-19-9-5-2-6-14(19)23(29)30)26-21-15(22(27)28)10-13(24)11-16(21)25/h2-11H,12H2,1H3,(H,29,30)</moldb-inchi>
  <moldb-inchikey>NDJQQHAZZFDEBK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">573.91975</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.6</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>CHEM329900</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>2-[[6,8-dibromo-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]benzoic 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>Organoheterocyclic compounds</superklass>
  <klass>Diazanaphthalenes</klass>
  <subklass>Benzodiazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0284485</sync-id>
  <structure-inchikey>NDJQQHAZZFDEBK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000800000000000000000000000000000000420000000000000022000004000000006004000000000000000080010000000080000000000400000000000000000000000020000000000100000000800000002000000000010080004040000000100000000400001100000000000000100000004000010040000000800000000000000000000000000100000000000080000000000100000000000000040000080000002000000001000040000000000000000080000000000000042000000100010000800000000002000820000200040000000000000000000001000040000000000400081000000020000140000000000000</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������������ ��h���h���h���h���h��� �	h�	
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���	������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:35:58Z</structure-indexed-at>
</compound>
