Hmdb loader

Showing information for DMID02202995

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:46 UTC
Update Date2025-03-25 00:53:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202995
Frequency0.5
Structure
Chemical FormulaC21H20N4O2S
Molecular Mass392.1307
SMILESO=C1CC(N2CCN(C3=Nc4ccccc4Sc4ccccc43)CC2)C(=O)N1
InChI KeyWZSZEHGYMSYJNS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazepines
Subclass dibenzothiazepines
Direct Parent dibenzothiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha amino acids
  • amidines
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • diarylthioethers
  • dicarboximides
  • hydrocarbon derivatives
  • imidolactams
  • n-alkylpiperazines
  • n-unsubstituted carboxylic acid imides
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolidine-2-ones
  • trialkylamines
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • amino acid or derivatives
  • amidine
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • aryl thioether
  • propargyl-type 1,3-dipolar organic compound
  • dibenzothiazepine
  • carboxylic acid imide, n-unsubstituted
  • organic oxide
  • piperazine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • dicarboximide
  • pyrrolidine
  • imidolactam
  • pyrrolidone
  • tertiary amine
  • diarylthioether
  • azacycle
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • organic 1,3-dipolar compound
  • carboxylic acid imide
  • organic oxygen compound
  • thioether
  • 1,4-diazinane
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound