<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">350352</id>
  <title nil="true"/>
  <common-name>3-[1-[1-[[3-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]-(4-cyanophenyl)methyl]azetidin-3-yl]-2-fluoro-2-methylpropyl]-5-fluorobenzonitrile</common-name>
  <description>3-[1-[1-[[3-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]-(4-cyanophenyl)methyl]azetidin-3-yl]-2-fluoro-2-methylpropyl]-5-fluorobenzonitrile is a chemical compound with the formula C30H26F2N6O. With an average molecular weight of 524.60 g/mol, 3-[1-[1-[[3-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]-(4-cyanophenyl)methyl]azetidin-3-yl]-2-fluoro-2-methylpropyl]-5-fluorobenzonitrile is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>68977099</pubchem-id>
  <chemical-formula>C30H26F2N6O</chemical-formula>
  <weight>524.6</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">2026-08-31T15:22:23Z</created-at>
  <updated-at type="dateTime">2026-08-31T15:22:23Z</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>CC(C)(C(C1CN(C1)C(C2=CC=C(C=C2)C#N)C3=CC=CC(=C3)C4=NN=C(O4)N)C5=CC(=CC(=C5)C#N)F)F</moldb-smiles>
  <moldb-formula>C30H26F2N6O</moldb-formula>
  <moldb-inchi>InChI=1S/C30H26F2N6O/c1-30(2,32)26(23-10-19(15-34)11-25(31)13-23)24-16-38(17-24)27(20-8-6-18(14-33)7-9-20)21-4-3-5-22(12-21)28-36-37-29(35)39-28/h3-13,24,26-27H,16-17H2,1-2H3,(H2,35,37)</moldb-inchi>
  <moldb-inchikey>AKSVEYGFHNXCSL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">524.2136158</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.9</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>CHEM346245</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>3-[1-[1-[[3-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]-(4-cyanophenyl)methyl]azetidin-3-yl]-2-fluoro-2-methylpropyl]-5-fluorobenzonitrile</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0300659</sync-id>
  <structure-inchikey>AKSVEYGFHNXCSL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400100002800010000000000020060004000000000000800824000100000000000000000000040000000000000000021008000000000000800040000000000000000000000000000000000000000000000008000a0000010200000009000100100000220000200000000000000100000000000020100000000000000000000100101010040002000800000000000800000881000000000000000000000004000000000000040000000000400088004000000000000044000000000000000000000000000000400000800000000000000020000000000000000000200000000000000000000100004000040000000000000800000200000200000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAnAAAAKwAAAIABBgBgAAAAAQMGACAAAAAE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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:48:20Z</structure-indexed-at>
</compound>
