<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">284151</id>
  <title nil="true"/>
  <common-name>8-bromo-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>218675</pubchem-id>
  <chemical-formula>C12H15BrN2</chemical-formula>
  <weight>267.16</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">2026-08-27T19:46:10Z</created-at>
  <updated-at type="dateTime">2026-08-27T19:46:10Z</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>CN1CCC2C(C1)C3=C(N2)C=CC(=C3)Br</moldb-smiles>
  <moldb-formula>C12H15BrN2</moldb-formula>
  <moldb-inchi>InChI=1S/C12H15BrN2/c1-15-5-4-12-10(7-15)9-6-8(13)2-3-11(9)14-12/h2-3,6,10,12,14H,4-5,7H2,1H3</moldb-inchi>
  <moldb-inchikey>ZZUPJULNHRLUFC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">266.04186</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.7</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>CHEM280044</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>8-bromo-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole</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>Organoheterocyclic compounds</superklass>
  <klass>Indoles and derivatives</klass>
  <subklass>Indolines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0236046</sync-id>
  <structure-inchikey>ZZUPJULNHRLUFC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000060000000000000000000000000000000010000800000004000000000040000000000000000000000000000000100000100000000000000000000000000000000000000000000000000000000000000000000801000000200000000000000000000000000100000000400020100008000000000400000101000000040000000000000200000104004000000000000000000000000000000000000002004000000000000080000000000000000000000008000000000000000000000000000000000000100000000000000000000000000000200000000000000000000000000000040000000000000000000000000020200000000001000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������`�������`������@(������@(�������h�������@h�������@h�������@(������@h������#� ����������������������������h��	 �
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  <structure-indexed-at type="dateTime">2026-09-19T04:58:32Z</structure-indexed-at>
</compound>
