350553 <common-name>4-[(4-chlorophenyl)methyl]-2-[1-[3-(4-fluorophenyl)propyl]azepan-4-yl]phthalazin-1-one</common-name> <description>4-[(4-chlorophenyl)methyl]-2-[1-[3-(4-fluorophenyl)propyl]azepan-4-yl]phthalazin-1-one is a chemical compound with the formula C30H31ClFN3O. With an average molecular weight of 504.00 g/mol, 4-[(4-chlorophenyl)methyl]-2-[1-[3-(4-fluorophenyl)propyl]azepan-4-yl]phthalazin-1-one is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>3066471</pubchem-id> <chemical-formula>C30H31ClFN3O</chemical-formula> <weight>504</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">2026-08-31T15:41:35Z</created-at> <updated-at type="dateTime">2026-08-31T15:41:35Z</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)CCCC2=CC=C(C=C2)F)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl</moldb-smiles> <moldb-formula>C30H31ClFN3O</moldb-formula> <moldb-inchi>InChI=1S/C30H31ClFN3O/c31-24-13-9-23(10-14-24)21-29-27-7-1-2-8-28(27)30(36)35(33-29)26-6-4-19-34(20-17-26)18-3-5-22-11-15-25(32)16-12-22/h1-2,7-16,26H,3-6,17-21H2</moldb-inchi> <moldb-inchikey>JLTHWGMQOSWTQF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">503.2139685</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.8</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>CHEM346446</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-[3-(4-fluorophenyl)propyl]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>CED0300858</sync-id> <structure-inchikey>JLTHWGMQOSWTQF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80200000000000000000000000000000008000000000000000000000022000000000000000208000000000020002000000000000018000000000000040000000000010000000002400000000001000000000000004000000000000008000000100000000000000000002010000000000200000000010080004000102000080000008000000400000000000010000000000100004000000000020000400000004010008000000200202000000000000a000000000000000000000040000000080000000000000020010000000000000000220000000010000000000000000000040000040030000820000080000000040000000000000</structure-fingerprint> 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