<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">350336</id>
  <title nil="true"/>
  <common-name>(4e)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione</common-name>
  <description>(4e)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione is a chemical compound with the formula C30H25N3O4. It has an average molecular weight of 491.50 g/mol.</description>
  <cas>497942-47-9</cas>
  <pubchem-id>6245779</pubchem-id>
  <chemical-formula>C30H25N3O4</chemical-formula>
  <weight>491.5</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">2026-08-31T15:20:44Z</created-at>
  <updated-at type="dateTime">2026-08-31T15:20:44Z</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=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=NC=C5)O</moldb-smiles>
  <moldb-formula>C30H25N3O4</moldb-formula>
  <moldb-inchi>InChI=1S/C30H25N3O4/c1-20-16-24(37-19-21-6-3-2-4-7-21)9-10-25(20)28(34)26-27(23-11-14-31-15-12-23)33(30(36)29(26)35)18-22-8-5-13-32-17-22/h2-17,27,34H,18-19H2,1H3/b28-26+</moldb-inchi>
  <moldb-inchikey>HBPRESKSFZPJCL-BYCLXTJYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">491.1845063</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.1</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>CHEM346229</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>(4e)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione</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>Benzenoids</superklass>
  <klass>Phenol ethers</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0300643</sync-id>
  <structure-inchikey>HBPRESKSFZPJCL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>401000800000100000000000000000000000000000000000000000000000000020200000000000002104000001000004000000000000000000000000000000000200000000000000000422000000000100020200000041000000000000010000000040000000110000000000000100000000000000001000100000100040200000800000000000000000000000000100800000000020000001000000000000000000000000080108000008100080080000080000040000000100000000000020001000001020000000000000004000002000000220040101000000000000000000002040000000000000000000000000000100000000000020</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAlAAAAKQAAAIABBgBgAAAAAQMGQCgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:48:19Z</structure-indexed-at>
</compound>
