<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">331558</id>
  <title nil="true"/>
  <common-name>Propan-2-yl n-[(2s)-7-cyano-3a,8b-dihydroxy-4-(pyridin-2-ylmethyl)-2,3-dihydro-1h-cyclopenta[b]indol-2-yl]carbamate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>118753382</pubchem-id>
  <chemical-formula>C22H24N4O4</chemical-formula>
  <weight>408.4</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">2026-08-30T12:24:52Z</created-at>
  <updated-at type="dateTime">2026-08-30T12:24:52Z</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)OC(=O)NC1CC2(C3=C(C=CC(=C3)C#N)N(C2(C1)O)CC4=CC=CC=N4)O</moldb-smiles>
  <moldb-formula>C22H24N4O4</moldb-formula>
  <moldb-inchi>InChI=1S/C22H24N4O4/c1-14(2)30-20(27)25-17-10-21(28)18-9-15(12-23)6-7-19(18)26(22(21,29)11-17)13-16-5-3-4-8-24-16/h3-9,14,17,28-29H,10-11,13H2,1-2H3,(H,25,27)/t17-,21?,22?/m0/s1</moldb-inchi>
  <moldb-inchikey>PGOWXQHSMFTDQD-YTXWROIDSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">408.1797553</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.3</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>CHEM327451</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>Propan-2-yl n-[(2s)-7-cyano-3a,8b-dihydroxy-4-(pyridin-2-ylmethyl)-2,3-dihydro-1h-cyclopenta[b]indol-2-yl]carbamate</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"/>
</compound>
