141787 <common-name>Aneratrigine</common-name> <description>Aneratrigine is a compound with the chemical formula C19H20ClF2N5O2S2. It has an average molecular weight of 487.97 g/mol.</description> <cas>2097163-74-9</cas> <pubchem-id nil="true"/> <chemical-formula>C19H20ClF2N5O2S2</chemical-formula> <weight nil="true"/> <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">2026-04-15T18:15:18Z</created-at> <updated-at type="dateTime">2026-05-14T20:48:57Z</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>DB21639</drugbank-id> <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>CNCCN(C)C1=C(NC2=C(Cl)C=C(C(F)=C2)S(=O)(=O)NC2=CSC=N2)C=CC(F)=C1</moldb-smiles> <moldb-formula>C19H20ClF2N5O2S2</moldb-formula> <moldb-inchi>InChI=1S/C19H20ClF2N5O2S2/c1-23-5-6-27(2)17-7-12(21)3-4-15(17)25-16-9-14(22)18(8-13(16)20)31(28,29)26-19-10-30-11-24-19/h3-4,7-11,23,25-26H,5-6H2,1-2H3</moldb-inchi> <moldb-inchikey>QQPQCLIQRLPULJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">487.97</moldb-average-mass> <moldb-mono-mass type="decimal">487.0715013</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM137680</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 nil="true"/> <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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer">2</paper-count> <sync-id>CED0055539</sync-id> <structure-inchikey>QQPQCLIQRLPULJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000040000000000000000000000000020002002000800000000000000000000000100a00000000000080400000040000000000000020001010004010000000001000000000000000000000000000000000904880000000000400000000000000000000000000000040000010001400000000000080100000000080400080000000000200000000000000000000000000080010802000020000080000080100000010410000000000000000000000000000000000021010000000000000020200104000000000000001008000800040000000000000800001000000000010000020800000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAfAAAAIQAAAIABBgBgAAAAAQMHAGAAAAAC AQYAYAAAAAICBgBgAAAAAgIHACgAAAADAwYAYAAAAAEDBkAoAAAAAwQGQCgA AAADBAcAaAAAAAMCAQZAKAAAAAMEBkAoAAAAAwQRACAAAAABBkBoAAAAAwMB BkAoAAAAAwQGQCgAAAADBAkAIAAAAAEGQGgAAAADAwEQACAAAAAGCAAoAAAA AwIIACgAAAADAgcAaAAAAAMCAQZAKAAAAAMEBkBoAAAAAwMBEEAoAAAAAwIG QGgAAAADAwEHQCgAAAADAwZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMECQAg AAAAAQZAaAAAAAMDAQsAAQABAgACAwADBAAEBQAEBiAGB2gMBwggCAkgCQpo DAoLAAoMaAwMDWgMDQ5oDA4PAA4QaAwNEQAREggCERMIAhEUABQVIBUWaAwW F2gMFxhoDBgZaAwHGmgMGhtoDBscaAwcHQAcHmgMHgZoDBAJaAwZFWgMQgMA AAAGBh4cGxoHBgoMDQ4QCQUWFRkYFxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:52:29Z</structure-indexed-at> </compound>