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<compound>
  <id type="integer">350307</id>
  <title nil="true"/>
  <common-name>4-[4-[[4-[benzyl-(4-methylphenyl)sulfonylamino]phenyl]diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid</common-name>
  <description>4-[4-[[4-[benzyl-(4-methylphenyl)sulfonylamino]phenyl]diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid is a chemical compound with the formula C30H25Cl2N5O6S2. With an average molecular weight of 686.60 g/mol, 4-[4-[[4-[benzyl-(4-methylphenyl)sulfonylamino]phenyl]diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]-2,5-dichlorobenzenesulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>172926</pubchem-id>
  <chemical-formula>C30H25Cl2N5O6S2</chemical-formula>
  <weight>686.6</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">2026-08-31T15:18:02Z</created-at>
  <updated-at type="dateTime">2026-08-31T15:18:02Z</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=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=C(C=C3)N=NC4C(=NN(C4=O)C5=CC(=C(C=C5Cl)S(=O)(=O)O)Cl)C</moldb-smiles>
  <moldb-formula>C30H25Cl2N5O6S2</moldb-formula>
  <moldb-inchi>InChI=1S/C30H25Cl2N5O6S2/c1-19-8-14-24(15-9-19)44(39,40)36(18-21-6-4-3-5-7-21)23-12-10-22(11-13-23)33-34-29-20(2)35-37(30(29)38)27-16-26(32)28(17-25(27)31)45(41,42)43/h3-17,29H,18H2,1-2H3,(H,41,42,43)</moldb-inchi>
  <moldb-inchikey>NEIUQZRUOIQCSZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">685.0623313</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"/>
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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>CHEM346200</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-[4-[[4-[benzyl-(4-methylphenyl)sulfonylamino]phenyl]diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]-2,5-dichlorobenzenesulfonic 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>Toluenes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0300614</sync-id>
  <structure-inchikey>NEIUQZRUOIQCSZ-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:48:17Z</structure-indexed-at>
</compound>
