330425 <common-name>2-[(2z)-5-chloro-2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]acetic acid</common-name> <description>2-[(2z)-5-chloro-2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]acetic acid is a compound with the formula C22H20ClN2O3S+. It has an average molecular weight of 427.90 g/mol.</description> <cas nil="true"/> <pubchem-id>6913488</pubchem-id> <chemical-formula>C22H20ClN2O3S+</chemical-formula> <weight>427.9</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">2026-08-30T10:59:05Z</created-at> <updated-at type="dateTime">2026-08-30T10:59:05Z</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>CC[N+]1=C(C=CC2=C1C=CC(=C2)OC)C=C3N(C4=C(S3)C=CC(=C4)Cl)CC(=O)O</moldb-smiles> <moldb-formula>C22H20ClN2O3S+</moldb-formula> <moldb-inchi>InChI=1S/C22H19ClN2O3S/c1-3-24-16(6-4-14-10-17(28-2)7-8-18(14)24)12-21-25(13-22(26)27)19-11-15(23)5-9-20(19)29-21/h4-12H,3,13H2,1-2H3/p+1</moldb-inchi> <moldb-inchikey>JFOUTMXECBMMSD-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">427.0883164</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.3</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>CHEM326318</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-[(2z)-5-chloro-2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]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>Quinolines and derivatives</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0280973</sync-id> <structure-inchikey>JFOUTMXECBMMSD-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>8000080000000000000800000000000000000000401000000100080000000000000004002001000200001000000000004000000000000000001000000000000000000000000400000080000000000000020000010001300000200000080000000040800010080001040000000100000000004000100040000000000000000000000080040000000000000000000000000000000000000000000000000000000100100008000000000000000080000000000000000000000000000000000000880000000000000000100000000000000000118000000000000400200000080002000000000000021000040000010000400000002010008000008000000000008</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�B������������� ��������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:32:58Z</structure-indexed-at> </compound>