<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">145684</id>
  <title nil="true"/>
  <common-name>AZD1390</common-name>
  <description>AZD1390 belongs to the imidazoquinolines, a subclass of quinolines and derivatives within the organic compounds. It is an organoheterocyclic compound with the formula C27H32FN5O2 and an average molecular weight of 477.58 g/mol.</description>
  <cas>2089288-03-7</cas>
  <pubchem-id>126689157</pubchem-id>
  <chemical-formula>C27H32FN5O2</chemical-formula>
  <weight>477.6</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">2026-05-14T20:52:17Z</created-at>
  <updated-at type="dateTime">2026-08-22T07:30:57Z</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>DB23332</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>CC(C)N1C(=O)N(C)C2=C1C1=C(C=C(F)C(=C1)C1=CC=C(OCCCN3CCCCC3)N=C1)N=C2</moldb-smiles>
  <moldb-formula>C27H32FN5O2</moldb-formula>
  <moldb-inchi>InChI=1S/C27H32FN5O2/c1-18(2)33-26-21-14-20(22(28)15-23(21)29-17-24(26)31(3)27(33)34)19-8-9-25(30-16-19)35-13-7-12-32-10-5-4-6-11-32/h8-9,14-18H,4-7,10-13H2,1-3H3</moldb-inchi>
  <moldb-inchikey>VQSZIPCGAGVRRP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">477.584</moldb-average-mass>
  <moldb-mono-mass type="decimal">477.254003453</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.2</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>CHEM141577</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-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one</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>Quinolines and derivatives</klass>
  <subklass>Imidazoquinolines</subklass>
  <paper-count type="integer">412</paper-count>
  <sync-id>CED0011926</sync-id>
  <structure-inchikey>VQSZIPCGAGVRRP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>6004000008840000000080000000000000000204008000000000000000000000000000100000012000000000800000200000000000000000000000000000000000000000000008000000000000000000402400004000011000000000000000001000000001000000000000020010000080000002010000000000000000000000080000004000000000401000200000400080000000200000000000000000000000000000000000000004000008000000000200008008000000a100000002000100000000200080000000000000400000000000000000800020000200000000010000000000008001000040000000010000a02000000000400002000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAjAAAAJwAAAIABBgBgAAAAAQMGAGAAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:52:36Z</structure-indexed-at>
</compound>
