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<compound>
  <id type="integer">310963</id>
  <title nil="true"/>
  <common-name>(12e)-4-chloro-12-(2-methoxyethoxymethylidene)-8-methyl-7,7-dioxo-11-pyridin-2-yl-13-oxa-3,7lambda6-dithia-8,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-trien-10-one</common-name>
  <description>(12e)-4-chloro-12-(2-methoxyethoxymethylidene)-8-methyl-7,7-dioxo-11-pyridin-2-yl-13-oxa-3,7lambda6-dithia-8,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-trien-10-one is a chemical compound with the formula C18H16ClN3O6S2. It has an average molecular weight of 469.90 g/mol.</description>
  <cas>123253-03-2</cas>
  <pubchem-id>3078939</pubchem-id>
  <chemical-formula>C18H16ClN3O6S2</chemical-formula>
  <weight>469.9</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">2026-08-29T06:44:59Z</created-at>
  <updated-at type="dateTime">2026-08-29T06:44:59Z</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>CN1C2=C(C3=C(S1(=O)=O)C=C(S3)Cl)OC(=COCCOC)N(C2=O)C4=CC=CC=N4</moldb-smiles>
  <moldb-formula>C18H16ClN3O6S2</moldb-formula>
  <moldb-inchi>InChI=1S/C18H16ClN3O6S2/c1-21-15-16(17-11(30(21,24)25)9-12(19)29-17)28-14(10-27-8-7-26-2)22(18(15)23)13-5-3-4-6-20-13/h3-6,9-10H,7-8H2,1-2H3/b14-10+</moldb-inchi>
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  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">469.0169053</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.9</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <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>CHEM306856</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>(12e)-4-chloro-12-(2-methoxyethoxymethylidene)-8-methyl-7,7-dioxo-11-pyridin-2-yl-13-oxa-3,7lambda6-dithia-8,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-trien-10-one</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>CED0261927</sync-id>
  <structure-inchikey>QHBQWKHCXLVGNL-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:18:13Z</structure-indexed-at>
</compound>
