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<compound>
  <id type="integer">321748</id>
  <title nil="true"/>
  <common-name>2-[[4-[(2-amino-4-oxo-3h-pyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>135444934</pubchem-id>
  <chemical-formula>C20H20N6O6</chemical-formula>
  <weight>440.4</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">2026-08-29T21:24:19Z</created-at>
  <updated-at type="dateTime">2026-08-29T21:24:19Z</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=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CC3=C(N=C2)N=C(NC3=O)N</moldb-smiles>
  <moldb-formula>C20H20N6O6</moldb-formula>
  <moldb-inchi>InChI=1S/C20H20N6O6/c21-20-25-16-13(18(30)26-20)7-10(9-23-16)8-22-12-3-1-11(2-4-12)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,7,9,14,22H,5-6,8H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,23,25,26,30)</moldb-inchi>
  <moldb-inchikey>NFARHPAOOHOWAL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">440.1444324</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.4</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>CHEM317641</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-[(2-amino-4-oxo-3h-pyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic 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>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0272465</sync-id>
  <structure-inchikey>NFARHPAOOHOWAL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000020000810000000400000000000000000100000000000000010000000000000020000201000000002004000000000000000000000002000000000000000000000000000080000000000020040000000040000000009002000000000000010000000010000000100400000000000000001000000000000000000000000000000000000200200000000080001000000000000000000000000000010000000000000000040000084000000080401000086000000000000000000910000008000000000000008000000000400000004000000000404220000000000000000000000801000040000000000400000000010000000000080004220000</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�������@(������@(������@8�������@(�������(�������h���������h���h���h���h���h��� ��(��� �	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:26:30Z</structure-indexed-at>
</compound>
