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  <id type="integer">343904</id>
  <title nil="true"/>
  <common-name>4-[(7-bromo-2-methyl-4-oxo-3h-quinazolin-6-yl)methyl-prop-2-ynylamino]-n-(pyridin-3-ylmethyl)benzamide</common-name>
  <description>4-[(7-bromo-2-methyl-4-oxo-3h-quinazolin-6-yl)methyl-prop-2-ynylamino]-n-(pyridin-3-ylmethyl)benzamide is a chemical compound with the formula C26H22BrN5O2. With an average molecular weight of 516.40 g/mol, 4-[(7-bromo-2-methyl-4-oxo-3h-quinazolin-6-yl)methyl-prop-2-ynylamino]-n-(pyridin-3-ylmethyl)benzamide is a heavy molecule.</description>
  <cas>206275-15-2</cas>
  <pubchem-id>135528987</pubchem-id>
  <chemical-formula>C26H22BrN5O2</chemical-formula>
  <weight>516.4</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">2026-08-31T05:31:38Z</created-at>
  <updated-at type="dateTime">2026-08-31T05:31:38Z</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=NC2=C(C=C(C(=C2)Br)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)C(=O)N1</moldb-smiles>
  <moldb-formula>C26H22BrN5O2</moldb-formula>
  <moldb-inchi>InChI=1S/C26H22BrN5O2/c1-3-11-32(16-20-12-22-24(13-23(20)27)30-17(2)31-26(22)34)21-8-6-19(7-9-21)25(33)29-15-18-5-4-10-28-14-18/h1,4-10,12-14H,11,15-16H2,2H3,(H,29,33)(H,30,31,34)</moldb-inchi>
  <moldb-inchikey>SHNBLWMBWXIKMR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">515.09569</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.8</logp>
  <hmdb-id nil="true"/>
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  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM339797</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-[(7-bromo-2-methyl-4-oxo-3h-quinazolin-6-yl)methyl-prop-2-ynylamino]-n-(pyridin-3-ylmethyl)benzamide</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"/>
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  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Diazanaphthalenes</klass>
  <subklass>Benzodiazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0294278</sync-id>
  <structure-inchikey>SHNBLWMBWXIKMR-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:43:13Z</structure-indexed-at>
</compound>
