295357 <common-name>4-[2-oxo-5-(4-sulfophenyl)-1,3-dihydroimidazol-4-yl]benzenesulfonic acid</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>81270</pubchem-id> <chemical-formula>C15H12N2O7S2</chemical-formula> <weight>396.4</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">2026-08-28T11:20:28Z</created-at> <updated-at type="dateTime">2026-08-28T11:20:28Z</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(=CC=C1C2=C(NC(=O)N2)C3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles> <moldb-formula>C15H12N2O7S2</moldb-formula> <moldb-inchi>InChI=1S/C15H12N2O7S2/c18-15-16-13(9-1-5-11(6-2-9)25(19,20)21)14(17-15)10-3-7-12(8-4-10)26(22,23)24/h1-8H,(H2,16,17,18)(H,19,20,21)(H,22,23,24)</moldb-inchi> <moldb-inchikey>BALRYCCTLNTDTD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">396.0085931</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.1</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>CHEM291250</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>4-[2-oxo-5-(4-sulfophenyl)-1,3-dihydroimidazol-4-yl]benzenesulfonic 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>Imidazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0246802</sync-id> <structure-inchikey>BALRYCCTLNTDTD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000000000000000000000000000000021000000020001000000000000000000000000000000000000000000000000000000008000000020000020040000000000001000000000000080000000010000000000000000000000800000000000000800000000000000000000000000000000000000200000000000800000000000000000000000000000000000000000000000000000080000000000000000000000088000000000000000000000000000000000000000000000000000000000000000004200000000000000000000000000000040000000000000000000000000000000080000000008</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@(������@h�������@h�������@(������@(������@(������@8�������@(�������(������@8�������@(������@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">2026-09-19T05:06:46Z</structure-indexed-at> </compound>