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<compound>
  <id type="integer">347908</id>
  <title nil="true"/>
  <common-name>5-[[4-[4-[(2,6-diamino-3-methyl-5-sulfophenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-hydroxybenzoic acid</common-name>
  <description>5-[[4-[4-[(2,6-diamino-3-methyl-5-sulfophenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-hydroxybenzoic acid is a chemical compound with the formula C28H26N6O6S. With an average molecular weight of 574.60 g/mol, 5-[[4-[4-[(2,6-diamino-3-methyl-5-sulfophenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-hydroxybenzoic acid is a heavy molecule.</description>
  <cas>741608-19-5</cas>
  <pubchem-id>23125</pubchem-id>
  <chemical-formula>C28H26N6O6S</chemical-formula>
  <weight>574.6</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">2026-08-31T11:45:39Z</created-at>
  <updated-at type="dateTime">2026-08-31T11:45:39Z</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(=C1N)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4=CC(=C(C=C4)O)C(=O)O)C)C)N)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C28H26N6O6S</moldb-formula>
  <moldb-inchi>InChI=1S/C28H26N6O6S/c1-14-10-17(4-7-21(14)32-31-19-6-9-23(35)20(13-19)28(36)37)18-5-8-22(15(2)11-18)33-34-27-25(29)16(3)12-24(26(27)30)41(38,39)40/h4-13,35H,29-30H2,1-3H3,(H,36,37)(H,38,39,40)</moldb-inchi>
  <moldb-inchikey>QYRKLZKJMKCVSE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">574.1634537</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.9</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>CHEM343801</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>5-[[4-[4-[(2,6-diamino-3-methyl-5-sulfophenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-hydroxybenzoic 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>Benzene and substituted derivatives</klass>
  <subklass>Biphenyls and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0298244</sync-id>
  <structure-inchikey>QYRKLZKJMKCVSE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000040000000400001002000000000000000000200000000000000000100000000000000000020000000004800000000040000080000000000000000000000000000000008000002020000020000020000000000004000000000000004000010000080800000000100000800000001000000000000000000000000000010240000000000000000000000000801000000000100000000000000000000000000000000000000008080100000000000000004000180001000000000000000000000000402100000000000000400080000000002000000200000000080000000000000002020040000000000400000000000000000100000000000000</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:46:27Z</structure-indexed-at>
</compound>
