341126 <common-name>9-(2-chlorophenyl)-n-(2,4-difluorophenyl)-3-methyl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carboxamide</common-name> <description>9-(2-chlorophenyl)-n-(2,4-difluorophenyl)-3-methyl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carboxamide is a chemical compound with the formula C25H19ClF2N6OS. With an average molecular weight of 525.00 g/mol, 9-(2-chlorophenyl)-n-(2,4-difluorophenyl)-3-methyl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carboxamide is a heavy molecule.</description> <cas>132418-58-7</cas> <pubchem-id>3076795</pubchem-id> <chemical-formula>C25H19ClF2N6OS</chemical-formula> <weight>525</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">2026-08-31T01:17:05Z</created-at> <updated-at type="dateTime">2026-08-31T01:17:05Z</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>CC1=NN=C2N1C3=C(C4=C(S3)CN(CC4)C(=O)NC5=C(C=C(C=C5)F)F)C(=NC2)C6=CC=CC=C6Cl</moldb-smiles> <moldb-formula>C25H19ClF2N6OS</moldb-formula> <moldb-inchi>InChI=1S/C25H19ClF2N6OS/c1-13-31-32-21-11-29-23(15-4-2-3-5-17(15)26)22-16-8-9-33(12-20(16)36-24(22)34(13)21)25(35)30-19-7-6-14(27)10-18(19)28/h2-7,10H,8-9,11-12H2,1H3,(H,30,35)</moldb-inchi> <moldb-inchikey>SGKVJXJMQRXLDK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">524.0997644</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.2</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>CHEM337019</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>9-(2-chlorophenyl)-n-(2,4-difluorophenyl)-3-methyl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carboxamide</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>Thienodiazepines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0291524</sync-id> <structure-inchikey>SGKVJXJMQRXLDK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000001000000000000100000020800000000000200000000000000000000000000000000080428120000000000400000000400400000000000000000000004000000000000000800000200000100000100000080000002000000000000110010000000002011040000000040201000000000202800000000000000000c00000008000000000000000800800000001000000800000000000000000000000000000000800400c00000020000000000000000081000000000000800000000000000000000000000008000200100004008020022012000000000000000080000180008000c0000000001400800020000000000040004000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAkAAAAKQAAAIABBgBgAAAAAQMGQCgAAAAD BAdAKAAAAAMDB0AoAAAAAwMGQCgAAAADBAdAKAAAAAMDBkAoAAAAAwQGQCgA AAADBAZAKAAAAAMEBkAoAAAAAwQQQCgAAAADAgYAYAAAAAICBwAoAAAAAwMG AGAAAAACAgYAYAAAAAICBgAoAAAAAwQIACgAAAADAgcAaAAAAAMCAQZAKAAA AAMEBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMD AQkAIAAAAAEJACAAAAABBgAoAAAAAwQHACgAAAADAwYAYAAAAAICBkAoAAAA AwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQCgAAAAD BBEAIAAAAAELAAEAAQJoDAIDaAwDBGgMBAVoDAUGIAYHaAwHCGgMCAloDAkK aAwJCwALDAAMDQANDgAMDyAPECgCDxEgERIgEhNoDBMUaAwUFWgMFRZoDBYX aAwVGAATGQAHGiAaGygCGxwAGh0gHR5oDB4faAwfIGgMICFoDCEiaAwiIwAF AWgMHAQACgZoDA4IABcSaAwiHWgMQgYAAAAFAQIDBAUFCgkIBwYGCwwNDggJ BhMUFRYXEgcbGgcGBQQcBh4fICEiHRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:41:10Z</structure-indexed-at> </compound>