<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">224474</id>
  <title nil="true"/>
  <common-name>N-[9-[(4s,5r)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-[[[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-bis(4-methoxyphenyl)methoxy]methyl]oxolan-2-yl]-6-oxo-1h-purin-2-yl]-2-methylpropanamide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>138395086</pubchem-id>
  <chemical-formula>C54H57F17N7O8P</chemical-formula>
  <weight>1286</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">2026-08-22T19:33:54Z</created-at>
  <updated-at type="dateTime">2026-08-22T19:33:54Z</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 nil="true"/>
  <moldb-formula>C54H57F17N7O8P</moldb-formula>
  <moldb-inchi>InChI=1S/C54H57F17N7O8P/c1-29(2)43(79)75-45-74-42-41(44(80)76-45)73-28-77(42)40-26-38(86-87(84-25-9-24-72)78(30(3)4)31(5)6)39(85-40)27-83-47(34-14-18-36(81-7)19-15-34,35-16-20-37(82-8)21-17-35)33-12-10-32(11-13-33)22-23-46(55,56)48(57,58)49(59,60)50(61,62)51(63,64)52(65,66)53(67,68)54(69,70)71/h10-21,28-31,38-40H,9,22-23,25-27H2,1-8H3,(H2,74,75,76,79,80)/t38-,39+,40?,87?/m0/s1</moldb-inchi>
  <moldb-inchikey>VTRKCHXDEIVAGQ-VSVFBYLCSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1286.0</moldb-average-mass>
  <moldb-mono-mass type="decimal">1285.373478</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>12.5</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>CHEM220367</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-[9-[(4S,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-[[[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-bis(4-methoxyphenyl)methoxy]methyl]oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide</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>Benzenoids</superklass>
  <klass>Triphenyl compounds</klass>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0174611</sync-id>
</compound>
