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  <chemical-formula>C21H26N2O2S</chemical-formula>
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  <created-at type="dateTime">2026-08-30T07:41:42Z</created-at>
  <updated-at type="dateTime">2026-08-30T07:41:42Z</updated-at>
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  <moldb-smiles>COC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCO</moldb-smiles>
  <moldb-formula>C21H26N2O2S</moldb-formula>
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  <chemdb-id>CHEM323927</chemdb-id>
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  <iupac>2-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol</iupac>
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  <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"/>
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  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Benzothiepins</klass>
  <subklass>Dibenzothiepins</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0278632</sync-id>
  <structure-inchikey>WHOLDQVFAWYZSG-UHFFFAOYSA-N</structure-inchikey>
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  <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@h�������@(������@(������@h�������@h�������� �����@(������@h�������@h�������@h�������@h�������@(�������`�������`������� ������`�������`������� ������`�������`�������`�������`�������`����������� ��h���h���h���h���h�����	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:31:11Z</structure-indexed-at>
</compound>
