<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">344352</id>
  <title nil="true"/>
  <common-name>6-[(5z)-5-[1-[2-(4-methylanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid</common-name>
  <description>6-[(5z)-5-[1-[2-(4-methylanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid has the chemical formula C26H25N3O5S2. With an average molecular weight of 523.60 g/mol, 6-[(5z)-5-[1-[2-(4-methylanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is a heavy molecule.</description>
  <cas>609795-18-8</cas>
  <pubchem-id>5903321</pubchem-id>
  <chemical-formula>C26H25N3O5S2</chemical-formula>
  <weight>523.6</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">2026-08-31T06:14:52Z</created-at>
  <updated-at type="dateTime">2026-08-31T06:14:52Z</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=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=C4C(=O)N(C(=S)S4)CCCCCC(=O)O)C2=O</moldb-smiles>
  <moldb-formula>C26H25N3O5S2</moldb-formula>
  <moldb-inchi>InChI=1S/C26H25N3O5S2/c1-16-10-12-17(13-11-16)27-20(30)15-29-19-8-5-4-7-18(19)22(24(29)33)23-25(34)28(26(35)36-23)14-6-2-3-9-21(31)32/h4-5,7-8,10-13H,2-3,6,9,14-15H2,1H3,(H,27,30)(H,31,32)/b23-22-</moldb-inchi>
  <moldb-inchikey>PNMDZCKFRHUQQS-FCQUAONHSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">523.1235633</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.7</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>CHEM340245</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-[1-[2-(4-methylanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-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>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>CED0294724</sync-id>
  <structure-inchikey>PNMDZCKFRHUQQS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000800040000000000000000000000100000000001000000000000000000020000000008000000004000000000000000000000000000000000000000000000000080000000000000020000010000000000000000000000000000000011000000010000000010004040000000100100000000080000000000000000040000400800002000000014080000000000100000000000000001080090100008000400000000000080000000000000020000002000000000000000000100008000000204001000000810000000000000000042000400200000000000000008100000000000040000000810680000000000010000100000000000008</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��� �� �	(��
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���� �h��h���h���h���h��� ��(��� ��(��� �� ��(����������������������� (��! �" "#(���h�"� ��h����B������������������������"��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:43:39Z</structure-indexed-at>
</compound>
