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<compound>
  <id type="integer">350573</id>
  <title nil="true"/>
  <common-name>4-[[n-ethyl-4-[[2-methoxy-4-[(2-methoxyphenyl)diazenyl]-5-methylphenyl]diazenyl]anilino]methyl]benzenesulfonic acid</common-name>
  <description>4-[[n-ethyl-4-[[2-methoxy-4-[(2-methoxyphenyl)diazenyl]-5-methylphenyl]diazenyl]anilino]methyl]benzenesulfonic acid is a compound with the chemical formula C30H31N5O5S. With an average molecular weight of 573.70 g/mol, 4-[[n-ethyl-4-[[2-methoxy-4-[(2-methoxyphenyl)diazenyl]-5-methylphenyl]diazenyl]anilino]methyl]benzenesulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>109834</pubchem-id>
  <chemical-formula>C30H31N5O5S</chemical-formula>
  <weight>573.7</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">2026-08-31T15:43:28Z</created-at>
  <updated-at type="dateTime">2026-08-31T15:43:28Z</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>CCN(CC1=CC=C(C=C1)S(=O)(=O)O)C2=CC=C(C=C2)N=NC3=C(C=C(C(=C3)C)N=NC4=CC=CC=C4OC)OC</moldb-smiles>
  <moldb-formula>C30H31N5O5S</moldb-formula>
  <moldb-inchi>InChI=1S/C30H31N5O5S/c1-5-35(20-22-10-16-25(17-11-22)41(36,37)38)24-14-12-23(13-15-24)31-34-28-18-21(2)27(19-30(28)40-4)33-32-26-8-6-7-9-29(26)39-3/h6-19H,5,20H2,1-4H3,(H,36,37,38)</moldb-inchi>
  <moldb-inchikey>IFPBASDMJYWKPC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">573.2045903</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.5</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>CHEM346466</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-[[n-ethyl-4-[[2-methoxy-4-[(2-methoxyphenyl)diazenyl]-5-methylphenyl]diazenyl]anilino]methyl]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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Phenylmethylamines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0300878</sync-id>
  <structure-inchikey>IFPBASDMJYWKPC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>402000000000000000800000000000000000000008080000200000000000400000008002000201000000020001000000000000000000000000000000000010000000000000000000008000000020000020000000000100001004000000000000000000010000000040000000104000000000001800000082000000000000000000000040000400808000000000001000000000000100040000000000000000000000000000000000000008280100002000000200000000088001004000000080000000000100000000000000000800000081000000002000000220000000000000000000000002000040000000000000000000000020000010000000000000</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:48:34Z</structure-indexed-at>
</compound>
