<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">300637</id>
  <title nil="true"/>
  <common-name>2-(carboxymethyl)-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carboxylic acid</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>202415</pubchem-id>
  <chemical-formula>C16H14N2O4</chemical-formula>
  <weight>298.29</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">2026-08-28T17:30:44Z</created-at>
  <updated-at type="dateTime">2026-08-28T17:30:44Z</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>CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC(=O)O)C)C(=O)O</moldb-smiles>
  <moldb-formula>C16H14N2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C16H14N2O4/c1-8-10(7-13(19)20)9(2)18-12-6-4-3-5-11(12)17-15(18)14(8)16(21)22/h3-6H,7H2,1-2H3,(H,19,20)(H,21,22)</moldb-inchi>
  <moldb-inchikey>IFLAXRXZYXJXDZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">298.0953569</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.9</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>CHEM296530</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-(carboxymethyl)-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carboxylic 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>Benzimidazoles</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0251899</sync-id>
  <structure-inchikey>IFLAXRXZYXJXDZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000800000000000000000000000000000000000000000080000000040000000040000000400002004000400000000000080000000000000000000000800000000200000000400000020000000000000000800002008000000000000010000010000000000000000000020000102001000000000000000000000000040000000804000000000000000000000000100000000000000000000040000000000000000400000080000000000000000000000000000000000000000000000000000000000000000000000000000008000002000400200020000000000000000000001000040000000000400000000000000000000000000202000</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�	
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�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:10:37Z</structure-indexed-at>
</compound>
