341016 <common-name>2-[[4-(4-bromophenyl)-5-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid</common-name> <description>2-[[4-(4-bromophenyl)-5-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid is a chemical compound with the formula C25H17BrN6O2S. With an average molecular weight of 545.40 g/mol, 2-[[4-(4-bromophenyl)-5-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid is a heavy molecule.</description> <cas>116989-79-8</cas> <pubchem-id>3088140</pubchem-id> <chemical-formula>C25H17BrN6O2S</chemical-formula> <weight>545.4</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">2026-08-31T01:00:55Z</created-at> <updated-at type="dateTime">2026-08-31T01:00:55Z</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)C3=NC4=CC=CC=C4N=C3N2CC5=NN=C(N5C6=CC=C(C=C6)Br)SCC(=O)O</moldb-smiles> <moldb-formula>C25H17BrN6O2S</moldb-formula> <moldb-inchi>InChI=1S/C25H17BrN6O2S/c26-15-9-11-16(12-10-15)32-21(29-30-25(32)35-14-22(33)34)13-31-20-8-4-1-5-17(20)23-24(31)28-19-7-3-2-6-18(19)27-23/h1-12H,13-14H2,(H,33,34)</moldb-inchi> <moldb-inchikey>ZGYIEAGZWWSCOI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">544.03171</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.7</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>CHEM336909</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-[[4-(4-bromophenyl)-5-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid</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>Azoles</klass> <subklass>Triazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0291414</sync-id> <structure-inchikey>ZGYIEAGZWWSCOI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400200000800000000800000000000000000000004000004000004000000040000002000004000000002084000400000000000000000000000000000000000000000200000000000000004020000000000000000000800010000200000000210000002000000000000000000400000100000000000800000000000000000000000000804000004000000004080000800100000000010000000000040000000000000000040000080000000008000000400000000000000400000000000000040000000000000100004000000000008000000800400200040000000000000040100001000040000000000400000000010000000040000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������#���(���€��@h�������@h�������@h�������@(������@(������@h�������@(������@(������@(������@h�������@h�������@h�������@h�������@(������@(������@(������@(�������`������@(������@(������@(������@(������@(������@(������@h�������@h�������@(������@h�������@h������#� ������ ������`�������(�������(�������h���������h���h���h���h���h���h���h���h�� h� h� �h���h�� h� �h���h���h���������h���h���h���h��� ��h���h���h���h���h����������� � !(� " ��h���h���h� �h���h���h�B�������������� ���� �� ������������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:41:04Z</structure-indexed-at> </compound>