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<compound>
  <id type="integer">321338</id>
  <title nil="true"/>
  <common-name>[[4-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-(4-methoxyphenyl)methanesulfonic acid</common-name>
  <description>[[4-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-(4-methoxyphenyl)methanesulfonic acid is a chemical compound with the formula C20H19ClN2O6S2. It has an average molecular weight of 483.00 g/mol.</description>
  <cas>71013-60-0</cas>
  <pubchem-id>3054249</pubchem-id>
  <chemical-formula>C20H19ClN2O6S2</chemical-formula>
  <weight>483</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">2026-08-29T20:45:30Z</created-at>
  <updated-at type="dateTime">2026-08-29T20:45:30Z</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=CC=C(C=C1)C(NC2=NC(=C(S2)CC(=O)OC)C3=CC=C(C=C3)Cl)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C20H19ClN2O6S2</moldb-formula>
  <moldb-inchi>InChI=1S/C20H19ClN2O6S2/c1-28-15-9-5-13(6-10-15)19(31(25,26)27)23-20-22-18(12-3-7-14(21)8-4-12)16(30-20)11-17(24)29-2/h3-10,19H,11H2,1-2H3,(H,22,23)(H,25,26,27)</moldb-inchi>
  <moldb-inchikey>SJZHUTRPFHDPOX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">482.0373064</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.9</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>CHEM317231</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-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-(4-methoxyphenyl)methanesulfonic 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>Thiazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0272059</sync-id>
  <structure-inchikey>SJZHUTRPFHDPOX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000000000000022010000010000080000000000000000400000000340000020000002040000020000000000000010000000000000000000000400000008000000000000020000010402100000200000000000000040000010080010040000000000000800000000000000000000000000000000000000040020400000000000020000080804000000000000000000020000000000000000000000000000400082000000000000000000000080000000000000080000000000000020000000000000000000010000000000100000200008000000000000000000005000040000000000400000000000040000000400000000000</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:26:12Z</structure-indexed-at>
</compound>
