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<compound>
  <id type="integer">141360</id>
  <title nil="true"/>
  <common-name>Cintirorgon</common-name>
  <description>Cintirorgon is an organic compound with the chemical formula C27H23F6NO6S. Cintirorgon belongs to the benzoxazines, a class of organoheterocyclic compounds within the organic compounds. With an average molecular weight of 603.53 g/mol, Cintirorgon is a heavy molecule. Regarding its biological activity, one protein target has been recorded for this compound, as it acts as an agonist of the nuclear receptor ROR-gamma (RORC).</description>
  <cas>2055536-64-4</cas>
  <pubchem-id>124126348</pubchem-id>
  <chemical-formula>C27H23F6NO6S</chemical-formula>
  <weight>603.5</weight>
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  <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">2026-04-15T17:40:49Z</created-at>
  <updated-at type="dateTime">2026-08-22T07:15:04Z</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>DB20916</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>CC(C)(C[C@H]1CN(C2=C(O1)C=CC(=C2)C1=CC(OC(F)F)=CC(F)=C1)S(=O)(=O)C1=CC(=CC=C1)C(F)(F)F)C(O)=O</moldb-smiles>
  <moldb-formula>C27H23F6NO6S</moldb-formula>
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  <moldb-average-mass type="decimal">603.53</moldb-average-mass>
  <moldb-mono-mass type="decimal">603.115027617</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM137253</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>3-[(2S)-6-[3-(difluoromethoxy)-5-fluorophenyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2,2-dimethylpropanoic acid</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>Benzoxazines</klass>
  <subklass nil="true"/>
  <paper-count type="integer">26</paper-count>
  <sync-id>CED0027838</sync-id>
  <structure-inchikey>GULSIMHVQYBADX-FQEVSTJZSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:52:05Z</structure-indexed-at>
</compound>
