342630 <common-name>1-(4-fluorophenyl)-4-(3-methyl-4,7,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)butan-1-one</common-name> <description>1-(4-fluorophenyl)-4-(3-methyl-4,7,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)butan-1-one is a chemical compound with the formula C25H30FN3O. It has an average molecular weight of 407.50 g/mol.</description> <cas>101247-79-4</cas> <pubchem-id>58233</pubchem-id> <chemical-formula>C25H30FN3O</chemical-formula> <weight>407.5</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">2026-08-31T03:38:38Z</created-at> <updated-at type="dateTime">2026-08-31T03:38:38Z</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>CC1CC2=C(CCNC(CN1)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4N2</moldb-smiles> <moldb-formula>C25H30FN3O</moldb-formula> <moldb-inchi>InChI=1S/C25H30FN3O/c1-17-15-24-22(21-6-2-3-7-23(21)29-24)13-14-27-20(16-28-17)5-4-8-25(30)18-9-11-19(26)12-10-18/h2-3,6-7,9-12,17,20,27-29H,4-5,8,13-16H2,1H3</moldb-inchi> <moldb-inchikey>NELXIQANQPYCSY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">407.2372908</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.1</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>CHEM338523</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>1-(4-fluorophenyl)-4-(3-methyl-4,7,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)butan-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>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0293016</sync-id> <structure-inchikey>NELXIQANQPYCSY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000812000000100000000000000000000008000010000000400000000804002000000000040000000000000000000000000020000000000000000000000000000000000000000000020000008000010000000000000000000000000010800008100000000000000000000020000000000002000000000100000000060000000800000202000002000000000000100000000000000000000000810040000000000040000084000002000000000100000000000001000000000000008040010000000200000000000020000044000000004204200000001000000000000000000000040000000010400800000400000000000000000000000</structure-fingerprint> 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