<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">356208</id>
  <title nil="true"/>
  <common-name>N-[2-[4-(4-ethylpiperazin-1-yl)-3-nitrophenyl]-4-oxoquinazolin-3-yl]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide</common-name>
  <description>N-[2-[4-(4-ethylpiperazin-1-yl)-3-nitrophenyl]-4-oxoquinazolin-3-yl]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide is a chemical compound with the formula C43H36N8O6. With an average molecular weight of 760.80 g/mol, N-[2-[4-(4-ethylpiperazin-1-yl)-3-nitrophenyl]-4-oxoquinazolin-3-yl]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>3078003</pubchem-id>
  <chemical-formula>C43H36N8O6</chemical-formula>
  <weight>760.8</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">2026-09-01T01:28:12Z</created-at>
  <updated-at type="dateTime">2026-09-01T01:28:12Z</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>CCN1CCN(CC1)C2=C(C=C(C=C2)C3=NC4=CC=CC=C4C(=O)N3NC(=O)COC5=CC=C(C=C5)C(=O)C6=C(N=C7C(=C6)C=CC=N7)C8=CC=CC=C8)[N+](=O)[O-]</moldb-smiles>
  <moldb-formula>C43H36N8O6</moldb-formula>
  <moldb-inchi>InChI=1S/C43H36N8O6/c1-2-48-21-23-49(24-22-48)36-19-16-31(26-37(36)51(55)56)42-45-35-13-7-6-12-33(35)43(54)50(42)47-38(52)27-57-32-17-14-29(15-18-32)40(53)34-25-30-11-8-20-44-41(30)46-39(34)28-9-4-3-5-10-28/h3-20,25-26H,2,21-24,27H2,1H3,(H,47,52)</moldb-inchi>
  <moldb-inchikey>GTTLWCHBIDHNEV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">760.2757809</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.4</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>CHEM352101</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-[2-[4-(4-ethylpiperazin-1-yl)-3-nitrophenyl]-4-oxoquinazolin-3-yl]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]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>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbonyl compounds</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0306458</sync-id>
  <structure-inchikey>GTTLWCHBIDHNEV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000204001000020800002100001000000008000000080000000010002000000000042000021300000002000002004000100000000008000010000800090000000000000000000001080000000000020000000000100101a00008000400000000000010000000202000040101000800000020100000040000000000000000000108140000001804000000000000080800000001100000040000000000000000100000000000000040000084000000000020000080000008000000800000000000000040000010000000000000001000000004200002000000200000100010000000000000001002040010000001400000000001000000110080000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������9���@���€���`�������`������� ������`�������`�������(�������`�������`������@(������@(������@h�������@(������@h�������@h�������@(������@(������@(������@h�������@h�������@h�������@h�������@(������@(�������(������@(�������h��������(�������(�������`�������(������@(������@h�������@h�������@(������@h�������@h��������(�������(������@(������@(������@(������@(������@(������@h�������@h�������@h�������@h�������@(������@(������@h�������@h�������@h�������@h�������@h������� *��������(������ *���ÿ�������������������������� �	h�	
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�h���h��h��� ��h���h���h���h���h���h���h���h���(���h��� �� ��(��������� ��h�� h� !h�!"h�"#h�!$ $%(�$&amp; &amp;'h�'(h�()h�)*h�*+h�*,h�,-h�-.h�./h�'0 01h�12h�23h�34h�45h�	6 67(�68 ����h���h���h�#�h�+&amp;h�/)h�50h�B������������	
������������������� !"#��()*+&amp;'�,-./)*�123450����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:54:02Z</structure-indexed-at>
</compound>
