<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">67080</id>
  <title nil="true"/>
  <common-name>Isatin bis-cresol</common-name>
  <description nil="true"/>
  <cas>47465-97-4</cas>
  <pubchem-id>162076</pubchem-id>
  <chemical-formula>C22H19N1O3</chemical-formula>
  <weight>345.4</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">2026-04-03T08:39:00Z</created-at>
  <updated-at type="dateTime">2026-04-17T17:18:10Z</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=CC(=CC=C1O)C1(C(=O)NC2=C1C=CC=C2)C1=CC(C)=C(O)C=C1</moldb-smiles>
  <moldb-formula>C22H19N1O3</moldb-formula>
  <moldb-inchi>InChI=1S/C22H19NO3/c1-13-11-15(7-9-19(13)24)22(16-8-10-20(25)14(2)12-16)17-5-3-4-6-18(17)23-21(22)26/h3-12,24-25H,1-2H3,(H,23,26)</moldb-inchi>
  <moldb-inchikey>ZEKCYPANSOJWDH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">345.398</moldb-average-mass>
  <moldb-mono-mass type="decimal">345.136493</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>142343</chemspider-id>
  <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>CHEM062973</chemdb-id>
  <dsstox-id>DTXSID1052119</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00020822</susdat-id>
  <iupac nil="true"/>
</compound>
