<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">347501</id>
  <title nil="true"/>
  <common-name>(4e)-2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-methylpyrazol-3-one</common-name>
  <description>(4e)-2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-methylpyrazol-3-one is a chemical compound with the formula C28H20ClN5O4. With an average molecular weight of 525.90 g/mol, (4e)-2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-methylpyrazol-3-one is a heavy molecule.</description>
  <cas>119457-16-8</cas>
  <pubchem-id>135770480</pubchem-id>
  <chemical-formula>C28H20ClN5O4</chemical-formula>
  <weight>525.9</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">2026-08-31T11:16:10Z</created-at>
  <updated-at type="dateTime">2026-08-31T11:16:10Z</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=NN(C(=O)C1=CC2=CC(=C(C=C2)O)OC)C(=O)CN3C4=CC=CC=C4C5=NC6=C(C=CC(=C6)Cl)N=C53</moldb-smiles>
  <moldb-formula>C28H20ClN5O4</moldb-formula>
  <moldb-inchi>InChI=1S/C28H20ClN5O4/c1-15-19(11-16-7-10-23(35)24(12-16)38-2)28(37)34(32-15)25(36)14-33-22-6-4-3-5-18(22)26-27(33)31-20-9-8-17(29)13-21(20)30-26/h3-13,35H,14H2,1-2H3/b19-11+</moldb-inchi>
  <moldb-inchikey>RMIMIXOXFWKOQY-YBFXNURJSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">525.1203818</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.8</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>CHEM343394</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)-2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-methylpyrazol-3-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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0297843</sync-id>
  <structure-inchikey>RMIMIXOXFWKOQY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400004000000009000000000080000000004000000000000800200004040000040000000200000020000000020000004000000000000000008000000000000000000004002000000000200000040200000000003000000000000000000000000002100804008400000001100010000000001400000400000000000400000000000400000008040000080000000000080008001000000001100000000000400000080000000000400020a0000000000004000000000100000002000000080000000040000002100000000000000000010008000002800000200000000000000000008000001000040000000000400000000400020000000000000004000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAmAAAAKwAAAIABBgBgAAAAAQMGACgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:46:03Z</structure-indexed-at>
</compound>
