<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">135608</id>
  <title nil="true"/>
  <common-name>CUDC-101</common-name>
  <description>CUDC-101 is an organic compound with the formula C24H26N4O4 and an average molecular weight of 434.50 g/mol. CUDC-101 belongs to the benzodiazines, a subclass of diazanaphthalenes within the organic compounds. This organoheterocyclic compound acts as a modulator of two protein targets: the epidermal growth factor receptor (EGFR) and the receptor tyrosine-protein kinase erbB-2 (ERBB2).</description>
  <cas>1012054-59-9</cas>
  <pubchem-id>24756910</pubchem-id>
  <chemical-formula>C24H26N4O4</chemical-formula>
  <weight>434.5</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">2026-04-14T18:38:15Z</created-at>
  <updated-at type="dateTime">2026-08-22T03:28:25Z</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>DB12174</drugbank-id>
  <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>COC1=C(OCCCCCCC(=O)NO)C=C2C(NC3=CC=CC(=C3)C#C)=NC=NC2=C1</moldb-smiles>
  <moldb-formula>C24H26N4O4</moldb-formula>
  <moldb-inchi>InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)</moldb-inchi>
  <moldb-inchikey>PLIVFNIUGLLCEK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">434.496</moldb-average-mass>
  <moldb-mono-mass type="decimal">434.195405333</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.82</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>CHEM131501</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>7-({4-[(3-ethynylphenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-N-hydroxyheptanamide</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>Diazanaphthalenes</klass>
  <subklass>Benzodiazines</subklass>
  <paper-count type="integer">491</paper-count>
  <sync-id>CED0011181</sync-id>
  <structure-inchikey>PLIVFNIUGLLCEK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000004000000000800002000000000000000000000100000000000000400000000000000000004000000000002000000000000000000000000000500000000000000000000000000000000000000020000060000101080000000010000000080020010000000040000000120080000010000000001000020000000000000001000040000000804000000000010084000400000000000020000441021000000000000000000000040100080000000000000000080000000000000002000080000008000000000000000500009000000000000000020002000200000000000000200000000000000040000000010400000000000020000000000000000000</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��� �������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:49:38Z</structure-indexed-at>
</compound>
