339459 <common-name>6-imino-11-methyl-5-(4-methylphenyl)sulfonyl-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one</common-name> <description>6-imino-11-methyl-5-(4-methylphenyl)sulfonyl-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one is a chemical compound with the formula C24H26N4O3S. It has an average molecular weight of 450.60 g/mol.</description> <cas>606964-16-3</cas> <pubchem-id>3414887</pubchem-id> <chemical-formula>C24H26N4O3S</chemical-formula> <weight>450.6</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">2026-08-30T22:46:37Z</created-at> <updated-at type="dateTime">2026-08-30T22:46:37Z</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>CCCCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)N4C=CC=C(C4=N2)C</moldb-smiles> <moldb-formula>C24H26N4O3S</moldb-formula> <moldb-inchi>InChI=1S/C24H26N4O3S/c1-4-5-6-13-27-21(25)20(32(30,31)18-11-9-16(2)10-12-18)15-19-23(27)26-22-17(3)8-7-14-28(22)24(19)29/h7-12,14-15,25H,4-6,13H2,1-3H3</moldb-inchi> <moldb-inchikey>KMPMRDFONAMFJJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">450.1725619</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.6</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>CHEM335352</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>6-imino-11-methyl-5-(4-methylphenyl)sulfonyl-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-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>Pyridopyrimidines</klass> <subklass>Pyrido[2,3-d]pyrimidines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0289879</sync-id> <structure-inchikey>KMPMRDFONAMFJJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000800100000000010000000000000000000000001000000000000002000021000000020000002000800000000000000000000000000080000000000000000010010080000140000020000000000000001000000000000000000020200000080000000010100004000000000100000000000000000100004000000040000000800400000000004000000000000000000001000000000000000000000000000000040000080100000000000008000000080000000000000000000000100000000000880800000000002000108000002000000200000000000000000100000001200040000000010080000000000040000003000000000000</structure-fingerprint> 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