347928 <common-name>4-[(4-chlorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]azepan-4-yl]phthalazin-1-one</common-name> <description>4-[(4-chlorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]azepan-4-yl]phthalazin-1-one is a chemical compound with the formula C28H27ClFN3O. It has an average molecular weight of 476.00 g/mol.</description> <cas nil="true"/> <pubchem-id>3066436</pubchem-id> <chemical-formula>C28H27ClFN3O</chemical-formula> <weight>476</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">2026-08-31T11:47:08Z</created-at> <updated-at type="dateTime">2026-08-31T11:47:08Z</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>C1CC(CCN(C1)CC2=CC=C(C=C2)F)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl</moldb-smiles> <moldb-formula>C28H27ClFN3O</moldb-formula> <moldb-inchi>InChI=1S/C28H27ClFN3O/c29-22-11-7-20(8-12-22)18-27-25-5-1-2-6-26(25)28(34)33(31-27)24-4-3-16-32(17-15-24)19-21-9-13-23(30)14-10-21/h1-2,5-14,24H,3-4,15-19H2</moldb-inchi> <moldb-inchikey>KODKFUGROCDHAP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">475.1826683</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>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>CHEM343821</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>4-[(4-chlorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]azepan-4-yl]phthalazin-1-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>Diazanaphthalenes</klass> <subklass>Benzodiazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0298264</sync-id> <structure-inchikey>KODKFUGROCDHAP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>802000000000000000000000000000000080000000000000000000000220000000000000002080000000000000020000000000000180000000000000400000000000100000000020000000000010000000000000040000008000000080000001000000000000000000020100000000000000000000100800000001020000800000080000000000000000000100000000000000040000000000200004000000040100080000002002020000000000008000000000000000000000040000000080000000000000020010000000000000000220041000010000000000000000000040000040020000820000080000000040000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAiAAAAJgAAAIABBgBgAAAAAgIGAGAAAAAC AgYAYAAAAAMBBgBgAAAAAgIGAGAAAAACAgcAIAAAAAMGAGAAAAACAgYAYAAA AAICBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMD AQZAaAAAAAMDAQkAIAAAAAEHQCgAAAADAwZAKAAAAAMECAAoAAAAAwIGQCgA AAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAKAAA AAMEBkAoAAAAAwQHQCgAAAADAwYAYAAAAAICBkAoAAAAAwQGQGgAAAADAwEG QGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAREAIAAAAAELAAEA AQIAAgMAAwQABAUABQYABQcABwgACAloDAkKaAwKC2gMCwxoDAwNaAwLDgAC DwAPEGgMEBEoAhASaAwSE2gMExRoDBQVaAwVFmgMFhdoDBcYaAwYGWgMGBoA GhsAGxxoDBwdaAwdHmgMHh9oDB8gaAweIQAGAAANCGgMGQ9oDBcSaAwgG2gM QgUAAAAHAAECAwQFBgYJCgsMDQgGEBIXGBkPBhMUFRYXEgYcHR4fIBsXBAAA AAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:46:28Z</structure-indexed-at> </compound>