<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">346373</id>
  <title nil="true"/>
  <common-name>5-bromo-3,3-bis(4-methylphenyl)-1-(morpholin-4-ylmethyl)indol-2-one</common-name>
  <description>5-bromo-3,3-bis(4-methylphenyl)-1-(morpholin-4-ylmethyl)indol-2-one is a chemical compound with the formula C27H27BrN2O2. It has an average molecular weight of 491.40 g/mol.</description>
  <cas>75472-68-3</cas>
  <pubchem-id>53273</pubchem-id>
  <chemical-formula>C27H27BrN2O2</chemical-formula>
  <weight>491.4</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">2026-08-31T09:47:43Z</created-at>
  <updated-at type="dateTime">2026-08-31T09:47:43Z</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>CC1=CC=C(C=C1)C2(C3=C(C=CC(=C3)Br)N(C2=O)CN4CCOCC4)C5=CC=C(C=C5)C</moldb-smiles>
  <moldb-formula>C27H27BrN2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C27H27BrN2O2/c1-19-3-7-21(8-4-19)27(22-9-5-20(2)6-10-22)24-17-23(28)11-12-25(24)30(26(27)31)18-29-13-15-32-16-14-29/h3-12,17H,13-16,18H2,1-2H3</moldb-inchi>
  <moldb-inchikey>YCZHKHMMIZGVQS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">490.12559</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.3</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>CHEM342266</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>5-bromo-3,3-bis(4-methylphenyl)-1-(morpholin-4-ylmethyl)indol-2-one</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 nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0296726</sync-id>
  <structure-inchikey>YCZHKHMMIZGVQS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100000000800000000800000000008000000000000000001000010000000000000020000000000000000000040000000000000000000008000000001000000008000000080000000000000020800000000000000000800000000200000000000000000000000000100000000400020100020000000000000000000000000048000000000000800000000004000000000000000000000000000000000120000000000000000000080000040000100040000000808000000000000000000040000000000000000100000000001000000000002000000200000000010000000100000040000040000000001080000000000000080000000000000001</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAgAAAAJAAAAIABBgBgAAAAAQMGQCgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:45:08Z</structure-indexed-at>
</compound>
