<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">350247</id>
  <title nil="true"/>
  <common-name>7-[(4-aminobenzoyl)amino]-3-[(4-benzamidophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid</common-name>
  <description>7-[(4-aminobenzoyl)amino]-3-[(4-benzamidophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid has the chemical formula C30H23N5O6S. With an average molecular weight of 581.60 g/mol, 7-[(4-aminobenzoyl)amino]-3-[(4-benzamidophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid is a heavy molecule.</description>
  <cas>65036-45-5</cas>
  <pubchem-id>103063</pubchem-id>
  <chemical-formula>C30H23N5O6S</chemical-formula>
  <weight>581.6</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">2026-08-31T15:12:09Z</created-at>
  <updated-at type="dateTime">2026-08-31T15:12:09Z</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(C=C1)C(=O)NC2=CC=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)NC(=O)C5=CC=C(C=C5)N)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C30H23N5O6S</moldb-formula>
  <moldb-inchi>InChI=1S/C30H23N5O6S/c31-21-8-6-19(7-9-21)30(38)33-24-14-15-25-20(16-24)17-26(42(39,40)41)27(28(25)36)35-34-23-12-10-22(11-13-23)32-29(37)18-4-2-1-3-5-18/h1-17,36H,31H2,(H,32,37)(H,33,38)(H,39,40,41)</moldb-inchi>
  <moldb-inchikey>ACHGBLJNMHWFPC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">581.1369046</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.3</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>CHEM346140</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-[(4-benzamidophenyl)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>Benzene and substituted derivatives</klass>
  <subklass>Anilides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0300554</sync-id>
  <structure-inchikey>ACHGBLJNMHWFPC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8180200000000000000000000000000000000000020000000004800000000000000000000002000000000000000000000000008000002020000020000000000000000004000000000000000000010000000810000000100080000000001000000400000000000000000000000000000400800000000000000080009000000100000000000000000000000000000000000800040000084000000100000000004000080000400000000020040000000100002000000000000000400080004000000004000200000000001008008000000003000040000000000400000000000000204000000000000000</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�������@h��������h�������� ������(�������(�������`��������h���h���h���h���h��� ��(��� �	 	
h�
�h���h��h��h��� ��(��� ��h���h���h���h���h���h���h���h���h��� �� �� ��(��� � h� !h�!"h�"#h�#$h�"% �&amp;�&amp;'��&amp;(��&amp;)���h��	h���h���h�$�h�B������������
���	��������������� !"#$�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:48:14Z</structure-indexed-at>
</compound>
