<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">44072</id>
  <title nil="true"/>
  <common-name>N-desethyl sunitinib</common-name>
  <description nil="true"/>
  <cas>356068-97-8</cas>
  <pubchem-id>67984615</pubchem-id>
  <chemical-formula>C20H23FN4O2</chemical-formula>
  <weight nil="true"/>
  <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">2016-06-03T10:28:09Z</created-at>
  <updated-at type="dateTime">2026-03-26T21:38:59Z</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>CCNCCN=C(O)C1=C(C)NC(C=C2C(O)=NC3=C2C=C(F)C=C3)=C1C</moldb-smiles>
  <moldb-formula>C20H23FN4O2</moldb-formula>
  <moldb-inchi>InChI=1S/C20H23FN4O2/c1-4-22-7-8-23-20(27)18-11(2)17(24-12(18)3)10-15-14-9-13(21)5-6-16(14)25-19(15)26/h5-6,9-10,22,24H,4,7-8H2,1-3H3,(H,23,27)(H,25,26)</moldb-inchi>
  <moldb-inchikey>LIZNIAKSBJKPQC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">370.428</moldb-average-mass>
  <moldb-mono-mass type="decimal">370.18050416</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>8468042</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>CHEM042967</chemdb-id>
  <dsstox-id>DTXSID10437828</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>Oberacher 2011</stoff-ident-origin>
  <stoff-ident-id>SI00001685</stoff-ident-id>
  <susdat-id>NS00003869</susdat-id>
  <iupac>N-[2-(ethylamino)ethyl]-5-[(5-fluoro-2-hydroxy-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboximidic acid</iupac>
</compound>
