<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">310969</id>
  <title nil="true"/>
  <common-name>N-[(4-chlorophenyl)carbamoyl]-2-[(4-oxoquinazolin-3-yl)methylamino]acetamide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3059664</pubchem-id>
  <chemical-formula>C18H16ClN5O3</chemical-formula>
  <weight>385.8</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">2026-08-29T06:45:54Z</created-at>
  <updated-at type="dateTime">2026-08-29T06:45:54Z</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)C(=O)N(C=N2)CNCC(=O)NC(=O)NC3=CC=C(C=C3)Cl</moldb-smiles>
  <moldb-formula>C18H16ClN5O3</moldb-formula>
  <moldb-inchi>InChI=1S/C18H16ClN5O3/c19-12-5-7-13(8-6-12)22-18(27)23-16(25)9-20-10-24-11-21-15-4-2-1-3-14(15)17(24)26/h1-8,11,20H,9-10H2,(H2,22,23,25,27)</moldb-inchi>
  <moldb-inchikey>HNLHDIPLJULBNU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">385.0941671</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.8</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>CHEM306862</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>N-[(4-chlorophenyl)carbamoyl]-2-[(4-oxoquinazolin-3-yl)methylamino]acetamide</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>N-phenylureas</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0261933</sync-id>
  <structure-inchikey>HNLHDIPLJULBNU-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000008000001000001000000000000001000000804000000000000000c0000020000020000000002000000000000000000000040000000080000000000000400000000000000004000020000000000000000200000000000000000000010080000010000000000000000000000900000000000000008800000000000080020400804000010000000080000000000100000000000000000000000000000000000000040001080000000000000080098000000000000000000000000000040000000000000000000000000010000000000000000200000000000000008000000000000040000000000400000000000000000600000000000000</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�	
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�������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:18:13Z</structure-indexed-at>
</compound>
