339769 <common-name>(1s,5s,6r)-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-[(1s)-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one</common-name> <description>(1s,5s,6r)-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-[(1s)-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one is a chemical compound with the formula C24H28N4O4S2. With an average molecular weight of 500.60 g/mol, (1s,5s,6r)-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-[(1s)-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>156905791</pubchem-id> <chemical-formula>C24H28N4O4S2</chemical-formula> <weight>500.6</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">2026-08-30T23:09:18Z</created-at> <updated-at type="dateTime">2026-08-30T23:09:18Z</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>CC(C1=CC=CC=N1)N2CC(C3CCCC(C2=O)N3S(=O)(=O)C4=CC5=C(C=C4)N=CS5)COC</moldb-smiles> <moldb-formula>C24H28N4O4S2</moldb-formula> <moldb-inchi>InChI=1S/C24H28N4O4S2/c1-16(19-6-3-4-11-25-19)27-13-17(14-32-2)21-7-5-8-22(24(27)29)28(21)34(30,31)18-9-10-20-23(12-18)33-15-26-20/h3-4,6,9-12,15-17,21-22H,5,7-8,13-14H2,1-2H3/t16-,17+,21+,22-/m0/s1</moldb-inchi> <moldb-inchikey>KWBWMGZANKQLDI-DVRVPYBTSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">500.1551977</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.7</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>CHEM335662</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>(1s,5s,6r)-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-[(1s)-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0290187</sync-id> <structure-inchikey>KWBWMGZANKQLDI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>44000000000020008000800002000000000040000000000000000000210000000000001000000821000000020000002000000000000000008000000400000410000000000040010000000000000000000020000011000900001010081000000000002000800000000044000000100400000000020100000040000000000400100800000041000000804000000000800010000000000180000000000000000000000010008004000000000000080000000000000000080000080000040000004000000001000000000000004000000000000000400000000040000280000000000000000000000000002040000000000000080010000080000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAiAAAAJgAAAIABBgBgAAAAAQMGAGAAAAAD AQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMB B0AoAAAAAwMHACgAAAADAwYAYAAAAAICBgBgAAAAAwEGAGAAAAADAQYAYAAA AAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAMBBgAoAAAAAwQIACgAAAADAgcA IAAAAAMQACAAAAAGCAAoAAAAAwIIACgAAAADAgZAKAAAAAMEBkBoAAAAAwMB BkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQdAKAAAAAMDBkBo AAAAAwMBEEAoAAAAAwIGAGAAAAACAggAIAAAAAIGAGAAAAABAwsAAQABAgAC A2gMAwRoDAQFaAwFBmgMBgdoDAEIAAgJAAkKAAoLAAsMAAwNAA0OAA4PAA8Q ABARKAIPEgASEwATFAgCExUIAhMWABYXaAwXGGgMGBloDBkaaAwaG2gMGRxo DBwdaAwdHmgMCh8AHyAAICEABwJoDBAIIBILABsWaAweGGgMQgUAAAAGAwQF BgcCBwkIEA8SCwoGDA0ODxILBhcYGRobFgUcGRgeHRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:40:12Z</structure-indexed-at> </compound>