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<compound>
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  <common-name>7-[(4-aminobenzoyl)amino]-4-hydroxy-3-[(2-methoxy-5-methylphenyl)diazenyl]naphthalene-2-sulfonic acid</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>106324</pubchem-id>
  <chemical-formula>C25H22N4O6S</chemical-formula>
  <weight>506.5</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
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  <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">2026-08-31T02:09:58Z</created-at>
  <updated-at type="dateTime">2026-08-31T02:09:58Z</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>CC1=CC(=C(C=C1)OC)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)C4=CC=C(C=C4)N)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C25H22N4O6S</moldb-formula>
  <moldb-inchi>InChI=1S/C25H22N4O6S/c1-14-3-10-21(35-2)20(11-14)28-29-23-22(36(32,33)34)13-16-12-18(8-9-19(16)24(23)30)27-25(31)15-4-6-17(26)7-5-15/h3-13,30H,26H2,1-2H3,(H,27,31)(H,32,33,34)</moldb-inchi>
  <moldb-inchikey>HWVOZRDFJBUWNP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
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  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.8</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>CHEM337491</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>7-[(4-aminobenzoyl)amino]-4-hydroxy-3-[(2-methoxy-5-methylphenyl)diazenyl]naphthalene-2-sulfonic 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>Benzenoids</superklass>
  <klass>Naphthalenes</klass>
  <subklass>Naphthalene sulfonic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0291996</sync-id>
  <structure-inchikey>HWVOZRDFJBUWNP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000020002000000000000000000080081802000000010004000000000000000000000000200000000008000000000000000000000020000000000000000000000000080000020200000200000000001000000040000000000000000000100000008500000001000800000000010000004020000000000040000000000400000000000000000000000800090000000000000000000000000000000000000000008000400000840000001000000000040000800014000000000a0040000000000002000000000000000400000004000002004000200000000001008008100000001000040000000000400000000000020200000000000000000</structure-fingerprint>
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  <structure-pickle>ï¾­Þ����������������$���'���€���`������@(������@h�������@(������@(������@h�������@h��������(�������`�������(�������(������@(������@(������@h�������@(������@h�������@(������@h�������@h�������@(������@(�������h��������h��������(�������(������@(������@h�������@h�������@(������@h�������@h��������h�������� ������(�������(�������`�����������h���h���h���h���h��� ����	 	
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� ��h��h��h���h���h���h���h���h���h��� �� �� ��(��� ��h���h���h���h���h��� � � !�� "�� #���h���h���h���h�B�����������������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:41:30Z</structure-indexed-at>
</compound>
