Hmdb loader

Showing information for DMID02230525

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:48 UTC
Update Date2025-03-25 00:58:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230525
Frequency0.5
Structure
Chemical FormulaC19H18N4S
Molecular Mass334.1252
SMILESCN1CCN(C2=Nc3ccccc3Sc3ccc(C#N)cc32)CC1
InChI KeyNERYXSKWTVYVSF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazepines
Subclass dibenzothiazepines
Direct Parent dibenzothiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • benzenoids
  • diarylthioethers
  • hydrocarbon derivatives
  • imidolactams
  • n-methylpiperazines
  • nitriles
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • trialkylamines
    • Substituents
  • nitrile
  • amidine
  • aryl thioether
  • propargyl-type 1,3-dipolar organic compound
  • dibenzothiazepine
  • piperazine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • carbonitrile
  • tertiary amine
  • diarylthioether
  • azacycle
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • n-methylpiperazine
  • organic 1,3-dipolar compound
  • thioether
  • 1,4-diazinane
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine