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<compound>
  <id type="integer">339691</id>
  <title nil="true"/>
  <common-name>5-[[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-[(e)-2-[4-[[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid</common-name>
  <description>5-[[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-[(e)-2-[4-[[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid is a compound with the formula C24H28N12O8S2. With an average molecular weight of 676.70 g/mol, 5-[[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-[(e)-2-[4-[[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>6440976</pubchem-id>
  <chemical-formula>C24H28N12O8S2</chemical-formula>
  <weight>676.7</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">2026-08-30T23:03:31Z</created-at>
  <updated-at type="dateTime">2026-08-30T23:03:31Z</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>C1=CC(=C(C=C1NC2=NC(=NC(=N2)NCCO)N)S(=O)(=O)O)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NCCO)N)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C24H28N12O8S2</moldb-formula>
  <moldb-inchi>InChI=1S/C24H28N12O8S2/c25-19-31-21(27-7-9-37)35-23(33-19)29-15-5-3-13(17(11-15)45(39,40)41)1-2-14-4-6-16(12-18(14)46(42,43)44)30-24-34-20(26)32-22(36-24)28-8-10-38/h1-6,11-12,37-38H,7-10H2,(H,39,40,41)(H,42,43,44)(H4,25,27,29,31,33,35)(H4,26,28,30,32,34,36)/b2-1+</moldb-inchi>
  <moldb-inchikey>TWCLNPUAJFHKLX-OWOJBTEDSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">676.1594483</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.1</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>CHEM335584</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-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-[(e)-2-[4-[[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic 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>Phenylpropanoids and polyketides</superklass>
  <klass>Stilbenes</klass>
  <subklass>Sulfonated stilbenes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0290109</sync-id>
  <structure-inchikey>TWCLNPUAJFHKLX-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:40:08Z</structure-indexed-at>
</compound>
