<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">356203</id>
  <title nil="true"/>
  <common-name>N-[2-[4-(azepan-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-(azepan-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 C43H35N7O6. With an average molecular weight of 745.80 g/mol, N-[2-[4-(azepan-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>136603-31-1</cas>
  <pubchem-id>3078007</pubchem-id>
  <chemical-formula>C43H35N7O6</chemical-formula>
  <weight>745.8</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">2026-09-01T01:27:45Z</created-at>
  <updated-at type="dateTime">2026-09-01T01:27:45Z</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>C1CCCN(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>C43H35N7O6</moldb-formula>
  <moldb-inchi>InChI=1S/C43H35N7O6/c51-38(27-56-32-19-16-29(17-20-32)40(52)34-25-30-13-10-22-44-41(30)46-39(34)28-11-4-3-5-12-28)47-49-42(45-35-15-7-6-14-33(35)43(49)53)31-18-21-36(37(26-31)50(54)55)48-23-8-1-2-9-24-48/h3-7,10-22,25-26H,1-2,8-9,23-24,27H2,(H,47,51)</moldb-inchi>
  <moldb-inchikey>QHJBLUJWYVCSPY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">745.2648819</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>7.4</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>CHEM352096</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-(azepan-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>CED0306453</sync-id>
  <structure-inchikey>QHJBLUJWYVCSPY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20400000004001000000800002100001000000008000000080000000010002000000000040000021300000002000002004000100000000008000010000800080000000000000000000001080000000000020000000800100101a00008000400000000000010000000202000000101000800000020100000040000000000000000800108100000001804000000000000080800000001100000040000000000000000100000000000000040000084000000000020000080000008000000000000000000000040000010000000000000001000000004200002000000200000100000000000000000001002040010000001400000000001000000112080000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������8���?���€���`�������`�������`�������`�������(�������`�������`������@(������@(������@h�������@(������@h�������@h�������@(������@(������@(������@h�������@h�������@h�������@h�������@(������@(�������(������@(�������h��������(�������(�������`�������(������@(������@h�������@h�������@(������@h�������@h��������(�������(������@(������@(������@(������@(������@(������@h�������@h�������@h�������@h�������@(������@(������@h�������@h�������@h�������@h�������@h������� *��������(������ *���ÿ����������������������� ��h��	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:54:01Z</structure-indexed-at>
</compound>
