<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">141865</id>
  <title nil="true"/>
  <common-name>Bimokalner</common-name>
  <description>Bimokalner is a chemical compound with the formula C15H18F5NOS. It has an average molecular weight of 355.37 g/mol.</description>
  <cas>2243284-19-5</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C15H18F5NOS</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-15T18:19:42Z</created-at>
  <updated-at type="dateTime">2026-05-14T20:50:04Z</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>DB21717</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>FS(F)(F)(F)(F)C1=CC=CC(CNC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)=C1</moldb-smiles>
  <moldb-formula>C15H18F5NOS</moldb-formula>
  <moldb-inchi>InChI=1S/C15H18F5NOS/c16-23(17,18,19,20)13-3-1-2-11(7-13)9-21-15(22)14-8-10-4-5-12(14)6-10/h1-3,7,10,12,14H,4-6,8-9H2,(H,21,22)/t10-,12+,14+/m1/s1</moldb-inchi>
  <moldb-inchikey>KTTBVFVRXDRSSP-OSMZGAPFSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">355.37</moldb-average-mass>
  <moldb-mono-mass type="decimal">355.102926193</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM137758</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 nil="true"/>
  <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">2</paper-count>
  <sync-id>CED0051020</sync-id>
  <structure-inchikey>KTTBVFVRXDRSSP-OSMZGAPFSA-N</structure-inchikey>
  <structure-fingerprint>800000000000200000000000000004014000000000010000000000000000000000000000040000000080000000000000000000000000000000000000000000400000000000000020000000004000000000000000000002000000010000000000000000100000000000020000000000000000004000100001000000200000800008000000000080000000000000000020000000000000000800000004100000000000080000000000000002100000000000000000000010000000840000000000000000000000000000000000000000000220200010000000000020000000000040000000002400800000000001000000000000000001</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€�	� ������(�����	� ����	� ����	� ����	� �����@(������@h�������@h�������@h�������@(�������`�������h��������(�������(������ 4��������`������ 4��������`�������`������ 4��������`������@h���������������������������h���h��	h�	
h�
������ �(���������������������
�h���h�������B�������������������
	������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:52:33Z</structure-indexed-at>
</compound>
