317626 <common-name>9-fluoro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-ol</common-name> <description>9-fluoro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-ol is a chemical compound with the formula C19H21FN2OS. It has an average molecular weight of 344.40 g/mol.</description> <cas nil="true"/> <pubchem-id>51210</pubchem-id> <chemical-formula>C19H21FN2OS</chemical-formula> <weight>344.4</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">2026-08-29T15:48:09Z</created-at> <updated-at type="dateTime">2026-08-29T15:48:09Z</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>CN1CCN(CC1)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)O</moldb-smiles> <moldb-formula>C19H21FN2OS</moldb-formula> <moldb-inchi>InChI=1S/C19H21FN2OS/c1-21-6-8-22(9-7-21)17-10-13-2-3-14(20)11-19(13)24-18-5-4-15(23)12-16(17)18/h2-5,11-12,17,23H,6-10H2,1H3</moldb-inchi> <moldb-inchikey>IHOYNYISJIXRQB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">344.1358626</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM313519</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>9-fluoro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-ol</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>Benzothiepins</klass> <subklass>Dibenzothiepins</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0268440</sync-id> <structure-inchikey>IHOYNYISJIXRQB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000000000000000000000000000000000000000004100000100000000000000000000000000000000000004000000000000000000000000000000800000000000000000000000000000000000000000100000100000000000c000000000000001000000000000000010000000000002010004000000000000000010100000004008000000000000000000404000000000000000000008000000000000000000c000000000000000080001002000000000000000008100000000000000000000000040002000000000000000024000000000000000c00200000000000000000000000002000040000000000000800000000000080000000000000008</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`������� ������`�������`�������`�������`������@(������@(������@h�������@(������@h�������@h������ � ������ �����@(������@(������@h�������@(������@h�������@h��������h�������������������������������� � h� �h���h�� h� �h���� �������h���h���h���h���h��� ������� h���h�B����������������� ��� � �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:23:24Z</structure-indexed-at> </compound>