317428 <common-name>3-(4-methylpiperazin-1-yl)-5-(1,3-thiazol-2-yl)-6h-pyridazino[3,4-b][1,4]benzoxazepine</common-name> <description>3-(4-methylpiperazin-1-yl)-5-(1,3-thiazol-2-yl)-6h-pyridazino[3,4-b][1,4]benzoxazepine is a chemical compound with the formula C19H20N6OS. It has an average molecular weight of 380.50 g/mol.</description> <cas>70301-54-1</cas> <pubchem-id>6410569</pubchem-id> <chemical-formula>C19H20N6OS</chemical-formula> <weight>380.5</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">2026-08-29T15:33:09Z</created-at> <updated-at type="dateTime">2026-08-29T15:33:09Z</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)C2=NN=C3C(=C2)N(CC4=CC=CC=C4O3)C5=NC=CS5</moldb-smiles> <moldb-formula>C19H20N6OS</moldb-formula> <moldb-inchi>InChI=1S/C19H20N6OS/c1-23-7-9-24(10-8-23)17-12-15-18(22-21-17)26-16-5-3-2-4-14(16)13-25(15)19-20-6-11-27-19/h2-6,11-12H,7-10,13H2,1H3</moldb-inchi> <moldb-inchikey>WTOAYLYMQKUGDN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">380.1419305</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</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>CHEM313321</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-(4-methylpiperazin-1-yl)-5-(1,3-thiazol-2-yl)-6h-pyridazino[3,4-b][1,4]benzoxazepine</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>Organic nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Amines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0268250</sync-id> <structure-inchikey>WTOAYLYMQKUGDN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000800000000000000000000000000000000000000000100001000000000008000000000000000008000001020000001000000000000000000000000000001000000200000000000000000000000008000100000000000000000000000000020000000000000000000001000020000000201000000000000000010000000000000400004008000000000000040000801000001000000000a00800000000001000000000000000000000800000000000000000c400000c000000800000000000081000000004000000000000000000000000008000000000200000000000000200000000000002040000000400000402020000000002000000000000000</structure-fingerprint> 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