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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:45 UTC
Update Date2025-03-25 00:53:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02198356
Frequency0.5
Structure
Chemical FormulaC15H13BrN2
Molecular Mass300.0262
SMILESCNC1=NC(c2ccc(Br)cc2)c2ccccc21
InChI KeyVNKCABZCMLYZPQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisoindoles and derivatives
Subclass isoindoles
Direct Parent isoindoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amidines
  • aryl bromides
  • azacyclic compounds
  • bromobenzenes
  • carboximidamides
  • hydrocarbon derivatives
  • imidolactams
  • organobromides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monocyclic benzene moiety
  • azacycle
  • isoindole
  • bromobenzene
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • organohalogen compound
  • aryl halide
  • propargyl-type 1,3-dipolar organic compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organobromide
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • imidolactam
  • aryl bromide