<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">350267</id>
  <title nil="true"/>
  <common-name>N-[(1r)-1-[3-(3,4-dihydroxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-n-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>118753513</pubchem-id>
  <chemical-formula>C30H24F3N5O5</chemical-formula>
  <weight>591.5</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">2026-08-31T15:14:04Z</created-at>
  <updated-at type="dateTime">2026-08-31T15:14:04Z</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(C1=NC2=C(C=CC=N2)C(=O)N1C3=CC(=C(C=C3)O)O)N(CC4=CN=CC=C4)C(=O)CC5=CC=C(C=C5)OC(F)(F)F</moldb-smiles>
  <moldb-formula>C30H24F3N5O5</moldb-formula>
  <moldb-inchi>InChI=1S/C30H24F3N5O5/c1-18(28-36-27-23(5-3-13-35-27)29(42)38(28)21-8-11-24(39)25(40)15-21)37(17-20-4-2-12-34-16-20)26(41)14-19-6-9-22(10-7-19)43-30(31,32)33/h2-13,15-16,18,39-40H,14,17H2,1H3/t18-/m1/s1</moldb-inchi>
  <moldb-inchikey>RBAFEVKXJYQUND-GOSISDBHSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">591.1729534</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.1</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>CHEM346160</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-[(1r)-1-[3-(3,4-dihydroxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-n-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id nil="true"/>
</compound>
