347609 <common-name>9-(2-chlorophenyl)-3-methyl-n-quinolin-3-yl-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-carbothioamide</common-name> <description>9-(2-chlorophenyl)-3-methyl-n-quinolin-3-yl-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-carbothioamide is a chemical compound with the formula C28H22ClN7S2. With an average molecular weight of 556.10 g/mol, 9-(2-chlorophenyl)-3-methyl-n-quinolin-3-yl-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-carbothioamide is a heavy molecule.</description> <cas>132418-54-3</cas> <pubchem-id>3076791</pubchem-id> <chemical-formula>C28H22ClN7S2</chemical-formula> <weight>556.1</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">2026-08-31T11:23:42Z</created-at> <updated-at type="dateTime">2026-08-31T11:23:42Z</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(=S)NC5=CC6=CC=CC=C6N=C5)C(=NC2)C7=CC=CC=C7Cl</moldb-smiles> <moldb-formula>C28H22ClN7S2</moldb-formula> <moldb-inchi>InChI=1S/C28H22ClN7S2/c1-16-33-34-24-14-31-26(19-7-3-4-8-21(19)29)25-20-10-11-35(15-23(20)38-27(25)36(16)24)28(37)32-18-12-17-6-2-5-9-22(17)30-13-18/h2-9,12-13H,10-11,14-15H2,1H3,(H,32,37)</moldb-inchi> <moldb-inchikey>SQLNSHJRDGFKBR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">555.1066638</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.9</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>CHEM343502</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)-3-methyl-n-quinolin-3-yl-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-carbothioamide</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>CED0297948</sync-id> <structure-inchikey>SQLNSHJRDGFKBR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000001000400200000100000020800001800000000000000000000000400002000000000080420120000000000400000000400400000000000000000000004000000000000000800000000000100000000000080000000000000000000110010000000000011040000000040201000000000202800000000000000000c000000180c0000000001000800800004001000000000000000000000000000000000000000800400800000020000000000800100080000000000001800000000000000000000000000008001000100000008020022012000000000000000080000100010000c0000000000000000020000000000040004000008000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAmAAAALAAAAIABBgBgAAAAAQMGQCgAAAAD BAdAKAAAAAMDB0AoAAAAAwMGQCgAAAADBAdAKAAAAAMDBkAoAAAAAwQGQCgA AAADBAZAKAAAAAMEBkAoAAAAAwQQQCgAAAADAgYAYAAAAAICBwAoAAAAAwMG AGAAAAACAgYAYAAAAAICBgAoAAAAAwQQACgAAAADAgcAaAAAAAMCAQZAKAAA AAMEBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAAD AwEGQGgAAAADAwEGQCgAAAADBAdAKAAAAAMDBkBoAAAAAwMBBgAoAAAAAwQH ACgAAAADAwYAYAAAAAICBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgA AAADAwEGQGgAAAADAwEGQCgAAAADBBEAIAAAAAELAAEAAQJoDAIDaAwDBGgM BAVoDAUGIAYHaAwHCGgMCAloDAkKaAwJCwALDAAMDQANDgAMDyAPECgCDxEg ERIgEhNoDBMUaAwUFWgMFRZoDBYXaAwXGGgMGBloDBkaaAwaG2gMBxwgHB0o Ah0eABwfIB8gaAwgIWgMISJoDCIjaAwjJGgMJCUABQFoDB4EAAoGaAwOCAAb EmgMGRRoDCQfaAxCBwAAAAUBAgMEBQUKCQgHBgYLDA0OCAkGExQZGhsSBhUW FxgZFAcdHAcGBQQeBiAhIiMkHxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:46:09Z</structure-indexed-at> </compound>