<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">344151</id>
  <title nil="true"/>
  <common-name>6-[(5z)-5-[[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid</common-name>
  <description>6-[(5z)-5-[[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is a chemical compound with the formula C26H24ClN3O4S2. With an average molecular weight of 542.10 g/mol, 6-[(5z)-5-[[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is a heavy molecule.</description>
  <cas>624724-62-5</cas>
  <pubchem-id>6296083</pubchem-id>
  <chemical-formula>C26H24ClN3O4S2</chemical-formula>
  <weight>542.1</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">2026-08-31T05:59:02Z</created-at>
  <updated-at type="dateTime">2026-08-31T05:59:02Z</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>COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O)C4=CC=CC=C4)Cl</moldb-smiles>
  <moldb-formula>C26H24ClN3O4S2</moldb-formula>
  <moldb-inchi>InChI=1S/C26H24ClN3O4S2/c1-34-21-12-11-17(14-20(21)27)24-18(16-30(28-24)19-8-4-2-5-9-19)15-22-25(33)29(26(35)36-22)13-7-3-6-10-23(31)32/h2,4-5,8-9,11-12,14-16H,3,6-7,10,13H2,1H3,(H,31,32)/b22-15-</moldb-inchi>
  <moldb-inchikey>KQZKDSPYOGYHOG-JCMHNJIXSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">541.0896763</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.8</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>CHEM340044</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>6-[(5z)-5-[[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic 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>Azoles</klass>
  <subklass>Pyrazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0294524</sync-id>
  <structure-inchikey>KQZKDSPYOGYHOG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800240000000000000000000000000000100000000400000404000000020100000000002002004000000000000000000800000000000000000000000c000000800000000000000200000100003000000000000000000000000000100000000400001001100048000080001001080400000000000000000000041c0000000800002000000014000800000000100000000000000001000010000000000000000000000080000000000000020010002020200040000000080000008000000000000000000000000000010000000040000400200000000000000000040000004000040000000810400000000080030000000000200000008</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�	
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��������� !"�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:43:26Z</structure-indexed-at>
</compound>
