335959 <common-name>7-chloro-5-(2-fluorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-3h-1,4-benzodiazepin-2-one</common-name> <description>7-chloro-5-(2-fluorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-3h-1,4-benzodiazepin-2-one is a chemical compound with the formula C23H26ClFN4O. It has an average molecular weight of 428.90 g/mol.</description> <cas nil="true"/> <pubchem-id>15646</pubchem-id> <chemical-formula>C23H26ClFN4O</chemical-formula> <weight>428.9</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">2026-08-30T18:14:30Z</created-at> <updated-at type="dateTime">2026-08-30T18:14:30Z</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)CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F</moldb-smiles> <moldb-formula>C23H26ClFN4O</moldb-formula> <moldb-inchi>InChI=1S/C23H26ClFN4O/c1-27-11-13-28(14-12-27)9-4-10-29-21-8-7-17(24)15-19(21)23(26-16-22(29)30)18-5-2-3-6-20(18)25/h2-3,5-8,15H,4,9-14,16H2,1H3</moldb-inchi> <moldb-inchikey>WTYFSDJZPCARBW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">428.1779173</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</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>CHEM331852</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>7-chloro-5-(2-fluorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-3h-1,4-benzodiazepin-2-one</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>Benzodiazepines</klass> <subklass>1,4-benzodiazepines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0286423</sync-id> <structure-inchikey>WTYFSDJZPCARBW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000002080000000000801000000040000000001008000000000000000000000002002000000800000200000000400000000100000000000000000000000000040000008000000008000002400000000001000000808000000000000000208008000001000000010400000000002010000000000008000000000008000004000000080000000000000400000000000010000010008000000000000010000000000000000000008000000000000000000000200a000000000000000000000000000000000000000000000000010000000000000000200000000010000000000008000000040000000011000800000000000002100000000000000</structure-fingerprint> 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