139027 <common-name>KL1333</common-name> <description>KL1333 belongs to the naphthalenes, a class of benzenoids within the organic compounds. This compound has the chemical formula C14H12N2O2 and an average molecular weight of 240.26 g/mol.</description> <cas>1800405-30-4</cas> <pubchem-id>91820639</pubchem-id> <chemical-formula>C14H12N2O2</chemical-formula> <weight>240.26</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">2026-04-14T21:34:18Z</created-at> <updated-at type="dateTime">2026-08-19T04:43:17Z</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>DB17622</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>CC(C)C1=NC2=C(N1)C(=O)C(=O)C1=CC=CC=C21</moldb-smiles> <moldb-formula>C14H12N2O2</moldb-formula> <moldb-inchi>InChI=1S/C14H12N2O2/c1-7(2)14-15-10-8-5-3-4-6-9(8)12(17)13(18)11(10)16-14/h3-7H,1-2H3,(H,15,16)</moldb-inchi> <moldb-inchikey>AJFWITSBVLLDCC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">240.262</moldb-average-mass> <moldb-mono-mass type="decimal">240.089877634</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.47</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>CHEM134920</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>2-(propan-2-yl)-3H,4H,5H-naphtho[1,2-d]imidazole-4,5-dione</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>Benzenoids</superklass> <klass>Naphthalenes</klass> <subklass nil="true"/> <paper-count type="integer">49</paper-count> <sync-id>CED0023489</sync-id> <structure-inchikey>AJFWITSBVLLDCC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000000010100000000000000000000000000000001000000020100000008000002000000000000000000000000000000000000000000000000000000200000000800022000000000000000004000000000000000000000000000000000001000000000000100000000000000080000000000000000040000000800000200000000000000000000100000040000000000000000000000000000000000000080000000000000002001000080000000200000000000000000000000000000000000000000000000000000000004200000000000000000000000001000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAFAAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBkAoAAAAAwQHQCgAAAADAwZAKAAAAAMEBkAoAAAAAwQHQDgA AAADAQMGACgAAAADBAgAKAAAAAMCBgAoAAAAAwQIACgAAAADAgZAKAAAAAME BkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQL AAEAAQIAAQMAAwRoDAQFaAwFBmgMBgdoDAYIIAgJKAIICiAKCygCCgwgDA1o DA0OaAwOD2gMDxBoDBARaAwHA2gMEQxoDBEFIEIDAAAABQMEBQYHBggKDBEF BgYNDg8QEQwXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:50:54Z</structure-indexed-at> </compound>