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<compound>
  <id type="integer">348950</id>
  <title nil="true"/>
  <common-name>5-[[4-[4-[(2-amino-8-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]-2-chlorophenyl]-3-chlorophenyl]diazenyl]-2-hydroxybenzoic acid</common-name>
  <description>5-[[4-[4-[(2-amino-8-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]-2-chlorophenyl]-3-chlorophenyl]diazenyl]-2-hydroxybenzoic acid is a chemical compound with the formula C29H19Cl2N5O7S. With an average molecular weight of 652.50 g/mol, 5-[[4-[4-[(2-amino-8-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]-2-chlorophenyl]-3-chlorophenyl]diazenyl]-2-hydroxybenzoic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>166162</pubchem-id>
  <chemical-formula>C29H19Cl2N5O7S</chemical-formula>
  <weight>652.5</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">2026-08-31T13:14:56Z</created-at>
  <updated-at type="dateTime">2026-08-31T13:14:56Z</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(C2=C(C=C(C=C21)S(=O)(=O)O)O)N=NC3=CC(=C(C=C3)C4=C(C=C(C=C4)N=NC5=CC(=C(C=C5)O)C(=O)O)Cl)Cl)N</moldb-smiles>
  <moldb-formula>C29H19Cl2N5O7S</moldb-formula>
  <moldb-inchi>InChI=1S/C29H19Cl2N5O7S/c30-22-11-16(34-33-15-4-8-25(37)21(10-15)29(39)40)2-5-19(22)20-6-3-17(12-23(20)31)35-36-28-24(32)7-1-14-9-18(44(41,42)43)13-26(38)27(14)28/h1-13,37-38H,32H2,(H,39,40)(H,41,42,43)</moldb-inchi>
  <moldb-inchikey>INQAGJFFTBASQG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">651.0382245</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>7</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <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>CHEM344843</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-amino-8-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]-2-chlorophenyl]-3-chlorophenyl]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>CED0299277</sync-id>
  <structure-inchikey>INQAGJFFTBASQG-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:47:10Z</structure-indexed-at>
</compound>
