<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">338138</id>
  <title nil="true"/>
  <common-name>7-[(4-aminobenzoyl)amino]-3-[(5-chloro-2-methoxyphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid</common-name>
  <description>7-[(4-aminobenzoyl)amino]-3-[(5-chloro-2-methoxyphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid is a chemical compound with the formula C24H19ClN4O6S. With an average molecular weight of 526.90 g/mol, 7-[(4-aminobenzoyl)amino]-3-[(5-chloro-2-methoxyphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid is a heavy molecule.</description>
  <cas>65000-29-5</cas>
  <pubchem-id>103060</pubchem-id>
  <chemical-formula>C24H19ClN4O6S</chemical-formula>
  <weight>526.9</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">2026-08-30T21:11:35Z</created-at>
  <updated-at type="dateTime">2026-08-30T21:11:35Z</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>COC1=C(C=C(C=C1)Cl)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)C4=CC=C(C=C4)N)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C24H19ClN4O6S</moldb-formula>
  <moldb-inchi>InChI=1S/C24H19ClN4O6S/c1-35-20-9-4-15(25)12-19(20)28-29-22-21(36(32,33)34)11-14-10-17(7-8-18(14)23(22)30)27-24(31)13-2-5-16(26)6-3-13/h2-12,30H,26H2,1H3,(H,27,31)(H,32,33,34)</moldb-inchi>
  <moldb-inchikey>PVUZGWWGTOCRAP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">526.0713832</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.1</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>CHEM334031</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-aminobenzoyl)amino]-3-[(5-chloro-2-methoxyphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic 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>CED0288567</sync-id>
  <structure-inchikey>PVUZGWWGTOCRAP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000002000000000000000004080081802000800000004000000000000000000000000200000000008000000000000000000000020000000000000000004000000080000020200000200000000001000000040000000000000000000100800008500000001000800000000010000004020000000000000000000000400000000000000000000000800090000000000000000000000000000000000000000008000400000840000001000000000040000800014000000000a0040000000004002000000000000000400010004000000004000200000000001008008000000001000040000000000400000000000020200000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������$���'���€���`�������(������@(������@(������@h�������@(������@h�������@h�������� ������(�������(������@(������@(������@h�������@(������@h�������@(������@h�������@h�������@(������@(�������h��������h��������(�������(������@(������@h�������@h�������@(������@h�������@h��������h�������� ������(�������(�������`����������� ��h���h���h���h���h�����	 	
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� ��h��h��h���h���h���h���h���h���h��� �� �� ��(��� ��h���h���h���h���h��� � � !�� "�� #���h���h���h���h�B�����������������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:38:59Z</structure-indexed-at>
</compound>
