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<compound>
  <id type="integer">353949</id>
  <title nil="true"/>
  <common-name>7-[[4-[[4-[[4-fluoro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,3,5-trisulfonic acid</common-name>
  <description>7-[[4-[[4-[[4-fluoro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,3,5-trisulfonic acid is a chemical compound with the formula C36H26FN9O15S5. With an average molecular weight of 1,004 g/mol, 7-[[4-[[4-[[4-fluoro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,3,5-trisulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>166459</pubchem-id>
  <chemical-formula>C36H26FN9O15S5</chemical-formula>
  <weight>1004</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">2026-08-31T21:10:32Z</created-at>
  <updated-at type="dateTime">2026-08-31T21:10:32Z</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=C(C=CC(=C1)NC2=NC(=NC(=N2)F)NC3=CC=CC=C3S(=O)(=O)O)N=NC4=C5C=CC(=CC5=C(C=C4)N=NC6=CC7=C(C=C(C=C7S(=O)(=O)O)S(=O)(=O)O)C(=C6)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C36H26FN9O15S5</moldb-formula>
  <moldb-inchi>InChI=1S/C36H26FN9O15S5/c1-18-12-19(38-35-40-34(37)41-36(42-35)39-30-4-2-3-5-31(30)64(53,54)55)6-9-27(18)44-46-28-10-11-29(24-15-21(62(47,48)49)7-8-23(24)28)45-43-20-13-25-26(32(14-20)65(56,57)58)16-22(63(50,51)52)17-33(25)66(59,60)61/h2-17H,1H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H2,38,39,40,41,42)</moldb-inchi>
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  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1003.013595</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.9</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>CHEM349842</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-[[4-[[4-fluoro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,3,5-trisulfonic 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>CED0304231</sync-id>
  <structure-inchikey>QQLXHXWMCOEODT-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:51:45Z</structure-indexed-at>
</compound>
