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  <id type="integer">334277</id>
  <title nil="true"/>
  <common-name>S-[5-[5-hydroxy-4-[(z)-indol-3-ylidenemethyl]-2-methylimidazol-1-yl]-1,3,4-thiadiazol-2-yl] 2-(2-chloroanilino)ethanethioate</common-name>
  <description>S-[5-[5-hydroxy-4-[(z)-indol-3-ylidenemethyl]-2-methylimidazol-1-yl]-1,3,4-thiadiazol-2-yl] 2-(2-chloroanilino)ethanethioate is a chemical compound with the formula C23H17ClN6O2S2. With an average molecular weight of 509.00 g/mol, S-[5-[5-hydroxy-4-[(z)-indol-3-ylidenemethyl]-2-methylimidazol-1-yl]-1,3,4-thiadiazol-2-yl] 2-(2-chloroanilino)ethanethioate is a heavy molecule.</description>
  <cas>127227-39-8</cas>
  <pubchem-id>135554541</pubchem-id>
  <chemical-formula>C23H17ClN6O2S2</chemical-formula>
  <weight>509</weight>
  <appearance nil="true"/>
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  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
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  <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">2026-08-30T15:53:54Z</created-at>
  <updated-at type="dateTime">2026-08-30T15:53:54Z</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"/>
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  <moldb-smiles>CC1=NC(=C(N1C2=NN=C(S2)SC(=O)CNC3=CC=CC=C3Cl)O)C=C4C=NC5=CC=CC=C54</moldb-smiles>
  <moldb-formula>C23H17ClN6O2S2</moldb-formula>
  <moldb-inchi>InChI=1S/C23H17ClN6O2S2/c1-13-27-19(10-14-11-25-17-8-4-2-6-15(14)17)21(32)30(13)22-28-29-23(34-22)33-20(31)12-26-18-9-5-3-7-16(18)24/h2-11,26,32H,12H2,1H3/b14-10+</moldb-inchi>
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  <moldb-mono-mass type="decimal">508.0542938</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.1</logp>
  <hmdb-id nil="true"/>
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  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM330170</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>S-[5-[5-hydroxy-4-[(z)-indol-3-ylidenemethyl]-2-methylimidazol-1-yl]-1,3,4-thiadiazol-2-yl] 2-(2-chloroanilino)ethanethioate</iupac>
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  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
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  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
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  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0284755</sync-id>
  <structure-inchikey>PDKMBBJIVQPBTP-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:36:09Z</structure-indexed-at>
</compound>
