<?xml version="1.0" encoding="UTF-8"?>
<compound>
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  <title nil="true"/>
  <common-name>AM-2233</common-name>
  <description nil="true"/>
  <cas>444912-75-8</cas>
  <pubchem-id>10226340</pubchem-id>
  <chemical-formula>C22H23IN2O</chemical-formula>
  <weight>458.3</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">2016-06-03T13:52:07Z</created-at>
  <updated-at type="dateTime">2026-08-21T22:01:43Z</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>CN1CCCCC1CN1C=C(C(=O)C2=CC=CC=C2I)C2=CC=CC=C12</moldb-smiles>
  <moldb-formula>C22H23IN2O</moldb-formula>
  <moldb-inchi>InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3</moldb-inchi>
  <moldb-inchikey>KSLCYQTUSSEGPT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">458.343</moldb-average-mass>
  <moldb-mono-mass type="decimal">458.08551</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.9</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>8401830</chemspider-id>
  <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>CHEM045973</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>NIVA/Waters</stoff-ident-origin>
  <stoff-ident-id>SI00009306</stoff-ident-id>
  <susdat-id>NS00007344</susdat-id>
  <iupac>(2-iodophenyl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone</iupac>
  <moldb-polar-surface-area>25.240000000000002</moldb-polar-surface-area>
  <moldb-refractivity>115.81049999999998</moldb-refractivity>
  <moldb-polarizability>43.59858867134907</moldb-polarizability>
  <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>8.63953662871368</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>4</moldb-number-of-rings>
  <moldb-alogps-logp>5.23</moldb-alogps-logp>
  <moldb-alogps-logs>-5.01</moldb-alogps-logs>
  <moldb-alogps-solubility>4.51e-03 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Indoles and derivatives</klass>
  <subklass>Benzoylindoles</subklass>
  <paper-count type="integer">43</paper-count>
  <sync-id>CED0024457</sync-id>
  <structure-inchikey>KSLCYQTUSSEGPT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>500000000400040000800000000000000000000000000000400200000000000000000000000000000000000000000000000000000200000000800002000000000000000000200002000000000000000020040000000000000000000020000000000000030000000000000000000020000800020100150000000000000000100800000040000000800000000000004000000000000100000000000000000000040000000004000000040100080000000000000001010000008080010000000000008000040000000000000000000000000000000000000000000200000000000000000000000000000040000000000400000000000000000102000000000000</structure-fingerprint>
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  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������`�������`�������`������@(������@h�������@(�������(�������(������@(������@h�������@h�������@h�������@h�������@(�����5� �����@(������@h�������@h�������@h�������@h�������@(�������������������������������	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:13:57Z</structure-indexed-at>
</compound>
