<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">338737</id>
  <title nil="true"/>
  <common-name>2-[[2-(carbamoylamino)-4-[[4-fluoro-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid</common-name>
  <description>2-[[2-(carbamoylamino)-4-[[4-fluoro-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid has the chemical formula C24H22FN11O10S3. With an average molecular weight of 739.70 g/mol, 2-[[2-(carbamoylamino)-4-[[4-fluoro-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>23520324</pubchem-id>
  <chemical-formula>C24H22FN11O10S3</chemical-formula>
  <weight>739.7</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">2026-08-30T21:53:04Z</created-at>
  <updated-at type="dateTime">2026-08-30T21:53:04Z</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(=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NCCS(=O)(=O)O)F)NC(=O)N)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C24H22FN11O10S3</moldb-formula>
  <moldb-inchi>InChI=1S/C24H22FN11O10S3/c25-21-30-23(27-9-10-47(38,39)40)32-24(31-21)28-14-3-7-17(19(11-14)29-22(26)37)35-36-18-8-4-15(12-20(18)49(44,45)46)34-33-13-1-5-16(6-2-13)48(41,42)43/h1-8,11-12H,9-10H2,(H3,26,29,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H2,27,28,30,31,32)</moldb-inchi>
  <moldb-inchikey>JVLTWZXUFNCTPH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">739.0697276</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.7</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>CHEM334630</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>2-[[2-(carbamoylamino)-4-[[4-fluoro-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-5-[(4-sulfophenyl)diazenyl]benzenesulfonic 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>Organoheterocyclic compounds</superklass>
  <klass>Azobenzenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0289163</sync-id>
  <structure-inchikey>JVLTWZXUFNCTPH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000040100800000000002000800000000000100200000000000000000000000000021004000020001002000800000000000000000000040100000000000840000000000008000000020000020001030000010001004000000000000000000010000000810000000100000000000001000800000000000000000002000000000000000004000000000000080001000800100000080000000000000000000000000000000000000080000000080000000000000088003000000020800000000000320000000000000000000008082000000000000000200000001000000008000000003000040000000020400800000004000000002000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������1���4���€��@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;( 
)�)*��)+��),��-�-.��-/��-0���h��h���h���h�B������������	
���������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:39:25Z</structure-indexed-at>
</compound>
