103099 <common-name>4-[(4-Chlorophenyl)thio]-11-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one</common-name> <description>4-[(4-Chlorophenyl)thio]-11-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one belongs to the isoquinolones and derivatives, a subclass of isoquinolines and derivatives within the organic compounds. This organoheterocyclic compound has the chemical formula C25H15ClN2OS and an average molecular weight of 426.92 g/mol.</description> <cas>97416-78-9</cas> <pubchem-id>44151322</pubchem-id> <chemical-formula>C25H15ClN2OS</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">2026-04-05T10:15:32Z</created-at> <updated-at type="dateTime">2026-04-05T10:15:32Z</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=CC2=C(C=C1)N1C(=N2)C2=CC=CC3=C(SC4=CC=C(Cl)C=C4)C=CC(C1=O)=C23</moldb-smiles> <moldb-formula>C25H15ClN2OS</moldb-formula> <moldb-inchi>InChI=1/C25H15ClN2OS/c1-14-5-11-21-20(13-14)27-24-18-4-2-3-17-22(30-16-8-6-15(26)7-9-16)12-10-19(23(17)18)25(29)28(21)24/h2-13H,1H3</moldb-inchi> <moldb-inchikey>SDEFOKDRSRTRMA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">426.92</moldb-average-mass> <moldb-mono-mass type="decimal">426.0593618</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>CHEM098992</chemdb-id> <dsstox-id>DTXSID30242956</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00066661</susdat-id> <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>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Isoquinolines and derivatives</klass> <subklass>Isoquinolones and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0160155</sync-id> <structure-inchikey>SDEFOKDRSRTRMA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000000800000000000000000000000080001400000000000000000020000000000000002000000400000000000000000000000080000000000880400000000000000000000020004000000000000200000000000001000000001880000000000040100000000000000102000000008000000004004041000040020000884000000000000000000000000000000000000001000000000000000000000000040000080020000000000000000000000000002000000000000000040000000000000000000000000010048000002004000200000000000020000100000001000040000000000000000000000000008000000004000000</structure-fingerprint> 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