340987 <common-name>2-[[4-(4-bromophenyl)-5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid</common-name> <description>2-[[4-(4-bromophenyl)-5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid is a chemical compound with the formula C25H16BrClN6O2S. With an average molecular weight of 579.90 g/mol, 2-[[4-(4-bromophenyl)-5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid is a heavy molecule.</description> <cas>116989-83-4</cas> <pubchem-id>3088144</pubchem-id> <chemical-formula>C25H16BrClN6O2S</chemical-formula> <weight>579.9</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">2026-08-31T00:57:55Z</created-at> <updated-at type="dateTime">2026-08-31T00:57:55Z</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>C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Cl)N(C3=N2)CC5=NN=C(N5C6=CC=C(C=C6)Br)SCC(=O)O</moldb-smiles> <moldb-formula>C25H16BrClN6O2S</moldb-formula> <moldb-inchi>InChI=1S/C25H16BrClN6O2S/c26-14-5-8-16(9-6-14)33-21(30-31-25(33)36-13-22(34)35)12-32-20-10-7-15(27)11-17(20)23-24(32)29-19-4-2-1-3-18(19)28-23/h1-11H,12-13H2,(H,34,35)</moldb-inchi> <moldb-inchikey>BABLAKMJGGAYOR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">577.99274</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> 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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>Azoles</klass> <subklass>Triazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0291385</sync-id> <structure-inchikey>BABLAKMJGGAYOR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400200000800000000800000000000400000000004080024000004000000040000002000004000000002084000400000000000000000000000000000000000000400000000000000000004020000000000000000000800010000208000000210080002000000000100000000400000100000000000800000000000000000000000000804000004000000004080000800100000000010000000000000000000000000000040000080000000008000000400000000000000400000000000000000000000000000100004000000010008000000800400200040000000000000040100001000040000000000400000000010000000040000004000000</structure-fingerprint> 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