<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">356204</id>
  <title nil="true"/>
  <common-name>4-[[4-anilino-6-[3-[[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]-4-sulfoanilino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]benzenesulfonic acid</common-name>
  <description>4-[[4-anilino-6-[3-[[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]-4-sulfoanilino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]benzenesulfonic acid is a chemical compound with the formula C43H36Cl2N14O8S2. With an average molecular weight of 1,012 g/mol, 4-[[4-anilino-6-[3-[[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]-4-sulfoanilino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]benzenesulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>44144931</pubchem-id>
  <chemical-formula>C43H36Cl2N14O8S2</chemical-formula>
  <weight>1011.9</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">2026-09-01T01:27:53Z</created-at>
  <updated-at type="dateTime">2026-09-01T01:27:53Z</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=C(C(=CC=C1)Cl)N2C(=O)C(C(=N2)C)N=NC3=C(C=CC(=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)NC6=CC(=C(C=C6)S(=O)(=O)O)N=NC7C(=NN(C7=O)C8=C(C=CC=C8Cl)C)C)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C43H36Cl2N14O8S2</moldb-formula>
  <moldb-inchi>InChI=1S/C43H36Cl2N14O8S2/c1-22-10-8-14-29(44)37(22)58-39(60)35(24(3)56-58)54-52-31-20-27(16-18-33(31)68(62,63)64)47-42-49-41(46-26-12-6-5-7-13-26)50-43(51-42)48-28-17-19-34(69(65,66)67)32(21-28)53-55-36-25(4)57-59(40(36)61)38-23(2)11-9-15-30(38)45/h5-21,35-36H,1-4H3,(H,62,63,64)(H,65,66,67)(H3,46,47,48,49,50,51)</moldb-inchi>
  <moldb-inchikey>BEVQMAXFWAIMFB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1010.165902</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>7.9</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>CHEM352097</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-anilino-6-[3-[[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]-4-sulfoanilino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4h-pyrazol-4-yl]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>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0306454</sync-id>
  <structure-inchikey>BEVQMAXFWAIMFB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400220000000000000000000000000000002000000000010080000000000000000000000000002000400802000200200480100000000000080000000010000000000000080040000000800000082000802000000000000100000c000000000000000000010000000810000000100000000000001100000000020000000000100001000048000000800000000000000080000000800100000000000000000000000100000000000000000008080101000000000000000000080000000000080000000000000220000000000000000000000010000002002000000200000000000000000000000001000040000000020000000040400000000001001000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������E���L���€���`������@(������@(������@(������@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�#$h��% %&amp; &amp;'h�'(h�()h�)*h�*+h�),�,-��,.��,/�(0 01(�12�23�34(�45 56 67(�58 89h�9:h�:;h�;&lt;h�&lt;=h�=&gt;�9?�3@��A�AB��AC��AD���h�� ��h���h�$�h�+&amp;h�62�=8h�B������������	������������������ !"#$��'()*+&amp;�32654�9:;&lt;=8����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:54:01Z</structure-indexed-at>
</compound>
