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<compound>
  <id type="integer">140092</id>
  <title nil="true"/>
  <common-name>Indotecan</common-name>
  <description>Indotecan is an organic compound with the formula C26H26N2O7 and an average molecular weight of 478.50 g/mol. Indotecan belongs to the isoquinolones and derivatives, a subclass of isoquinolines and derivatives within the organic compounds. It is classified as an organoheterocyclic compound. Regarding its biological activity, one protein target is recorded for this substance, as it acts as an inhibitor of DNA topoisomerase 1 (TOP1).</description>
  <cas>915303-09-2</cas>
  <pubchem-id>11533060</pubchem-id>
  <chemical-formula>C26H26N2O7</chemical-formula>
  <weight>478.5</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">2026-04-15T16:07:59Z</created-at>
  <updated-at type="dateTime">2026-08-22T06:18:41Z</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>DB18752</drugbank-id>
  <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>COC1=C(OC)C=C2C(=O)N(CCCN3CCOCC3)C3=C(C(=O)C4=CC5=C(OCO5)C=C34)C2=C1</moldb-smiles>
  <moldb-formula>C26H26N2O7</moldb-formula>
  <moldb-inchi>InChI=1S/C26H26N2O7/c1-31-19-10-15-18(13-20(19)32-2)26(30)28(5-3-4-27-6-8-33-9-7-27)24-16-11-21-22(35-14-34-21)12-17(16)25(29)23(15)24/h10-13H,3-9,14H2,1-2H3</moldb-inchi>
  <moldb-inchikey>FMFIFGLHVOZDEL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">478.501</moldb-average-mass>
  <moldb-mono-mass type="decimal">478.174001185</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.2</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>CHEM135985</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>15,16-dimethoxy-20-(3-morpholin-4-ylpropyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-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>Organoheterocyclic compounds</superklass>
  <klass>Isoquinolines and derivatives</klass>
  <subklass>Isoquinolones and derivatives</subklass>
  <paper-count type="integer">173</paper-count>
  <sync-id>CED0015999</sync-id>
  <structure-inchikey>FMFIFGLHVOZDEL-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:51:08Z</structure-indexed-at>
</compound>
