<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">346923</id>
  <title nil="true"/>
  <common-name>(4e)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrrolidine-2,3-dione</common-name>
  <description>(4e)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrrolidine-2,3-dione is a chemical compound with the formula C27H33N3O5. It has an average molecular weight of 479.60 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>5768426</pubchem-id>
  <chemical-formula>C27H33N3O5</chemical-formula>
  <weight>479.6</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">2026-08-31T10:29:20Z</created-at>
  <updated-at type="dateTime">2026-08-31T10:29:20Z</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)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=NC=C4)O)OC(C)C</moldb-smiles>
  <moldb-formula>C27H33N3O5</moldb-formula>
  <moldb-inchi>InChI=1S/C27H33N3O5/c1-18(2)35-22-6-5-21(17-19(22)3)25(31)23-24(20-7-9-28-10-8-20)30(27(33)26(23)32)12-4-11-29-13-15-34-16-14-29/h5-10,17-18,24,31H,4,11-16H2,1-3H3/b25-23+</moldb-inchi>
  <moldb-inchikey>OIAHQBAKMXEZSS-WJTDDFOZSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">479.2420212</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3</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>CHEM342816</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-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrrolidine-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>CED0297271</sync-id>
  <structure-inchikey>OIAHQBAKMXEZSS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000000004000008002000080000000000000000000000000000000000000000410000000200000000000000021040000000000000000000000000000800010000000100002000200000000000000248080000001000000001000000000000000000900000000400000001100000000000201000200000000000010001000000000400000000000000000200040000000000000008000000000200000010000000000000000000000000841000400081000c000000008a000000000000000000000000000001000000020000000000000004000002800000200000100010000000000000040002040000000010000000000000020240000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAjAAAAJgAAAIABBgBgAAAAAQMGQCgAAAAD
BAZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEG
ACgAAAADBAYAKAAAAAMEBgBgAAAAAwEHACgAAAADAwYAKAAAAAMECAAoAAAA
AwIGACgAAAADBAgAKAAAAAMCBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBwAg
AAAAAwYAYAAAAAICBgBgAAAAAgIIACAAAAACBgBgAAAAAgIGAGAAAAACAgZA
KAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBB0AoAAAAAwMGQGgAAAADAwEGQGgA
AAADAwEIAGgAAAADAQEIACgAAAADAgYAYAAAAAMBBgBgAAAAAQMGAGAAAAAB
AwsAAQABAmgMAgNoDAMEaAwEBWgMBQZoDAUHIAcIKAIICQAJCgAKCyALDCgC
Cw0gDQ4oAgoPAA8QABARABESABITABMUABQVABUWABYXAAkYABgZaAwZGmgM
GhtoDBscaAwcHWgMBx4gAh8gHyAAICEAICIABgFoDA0IIBcSAB0YaAxCBAAA
AAYBBgUEAwIFCwoJCA0GExQVFhcSBhkaGxwdGBcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:45:32Z</structure-indexed-at>
</compound>
