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<compound>
  <id type="integer">339772</id>
  <title nil="true"/>
  <common-name>[4-(5-nitro-2-propoxybenzoyl)piperazin-1-yl]-(5-nitro-2-propoxyphenyl)methanone</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>51060003</pubchem-id>
  <chemical-formula>C24H28N4O8</chemical-formula>
  <weight>500.5</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">2026-08-30T23:09:30Z</created-at>
  <updated-at type="dateTime">2026-08-30T23:09:30Z</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>CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OCCC</moldb-smiles>
  <moldb-formula>C24H28N4O8</moldb-formula>
  <moldb-inchi>InChI=1S/C24H28N4O8/c1-3-13-35-21-7-5-17(27(31)32)15-19(21)23(29)25-9-11-26(12-10-25)24(30)20-16-18(28(33)34)6-8-22(20)36-14-4-2/h5-8,15-16H,3-4,9-14H2,1-2H3</moldb-inchi>
  <moldb-inchikey>YTGPZYJGOZVLFZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">500.1907139</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.7</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>CHEM335665</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-(5-nitro-2-propoxybenzoyl)piperazin-1-yl]-(5-nitro-2-propoxyphenyl)methanone</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Nitrobenzenes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0290190</sync-id>
  <structure-inchikey>YTGPZYJGOZVLFZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000008800200000000000000000000000000000000000000000000000002000000020000000020000000000000000000000000000000000800000000000000000000000000000000000020000000000100001000000000400000000020010000000200000002100000000000020102000008000000000000000000000040000000000000000000000000000000001000000000000000000020000000000000000000000000080000000000000000080000008000008002000000000000000004000000000000000000000000000000000000000200000000000000420000000000000040000000000400000800001020000100004000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������$���&amp;���€���`�������`�������`�������(������@(������@(������@h�������@(������@h�������@h������� *��������(������ *���ÿ����(�������(�������(�������`�������`�������(�������`�������`�������(�������(������@(������@(������@h�������@h�������@(������@h������� *��������(������ *���ÿ����(�������`�������`�������`����������������� ��h���h���h���h��	h��
 
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� � �(�� ����������������� ��(��� ��h���h���h���h���h��� ��(��� �   !�!"�"#�	�h������h�B������	����������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:40:12Z</structure-indexed-at>
</compound>
