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<compound>
  <id type="integer">346142</id>
  <title nil="true"/>
  <common-name>Methyl 4-[(3e)-3-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzoate</common-name>
  <description>Methyl 4-[(3e)-3-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzoate is a chemical compound with the formula C27H24N2O7. It has an average molecular weight of 488.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>5804046</pubchem-id>
  <chemical-formula>C27H24N2O7</chemical-formula>
  <weight>488.5</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">2026-08-31T09:29:19Z</created-at>
  <updated-at type="dateTime">2026-08-31T09:29:19Z</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"/>
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  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)C(=O)OC)O)OC</moldb-smiles>
  <moldb-formula>C27H24N2O7</moldb-formula>
  <moldb-inchi>InChI=1S/C27H24N2O7/c1-34-20-11-10-19(13-21(20)35-2)24(30)22-23(17-6-8-18(9-7-17)27(33)36-3)29(26(32)25(22)31)15-16-5-4-12-28-14-16/h4-14,23,30H,15H2,1-3H3/b24-22+</moldb-inchi>
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  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">488.1583511</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.2</logp>
  <hmdb-id nil="true"/>
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  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM342035</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>Methyl 4-[(3e)-3-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzoate</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>Pyrrolidines</klass>
  <subklass>Phenylpyrrolidines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0296495</sync-id>
  <structure-inchikey>KCRNCSFUWMPCQT-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:44:58Z</structure-indexed-at>
</compound>
