DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:08 UTC
Update Date	2025-03-25 00:54:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206103
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₃ClN₄O₃S
Molecular Mass	376.0397
SMILES	NC(=O)c1cnc2cc(S(N)(=O)=O)c(Cl)cc2c1Nc1ccccc1
InChI Key	OWSUESGXZDHHHL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	quinolines and derivatives
Subclass	quinoline carboxamides
Direct Parent	quinoline-3-carboxamides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-halopyridines amino acids and derivatives aminosulfonyl compounds aryl chlorides azacyclic compounds benzene and substituted derivatives carboxylic acids and derivatives haloquinolines heteroaromatic compounds hydrocarbon derivatives organic oxides organochlorides organooxygen compounds organopnictogen compounds organosulfonamides polyhalopyridines primary carboxylic acid amides pyridinecarboxylic acids and derivatives secondary amines vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives organosulfonic acid or derivatives monocyclic benzene moiety amino acid or derivatives polyhalopyridine organochloride organosulfur compound carboxylic acid derivative organohalogen compound organosulfonic acid amide haloquinoline organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound 2-halopyridine aryl chloride vinylogous amide azacycle aminosulfonyl compound heteroaromatic compound secondary amine carboxamide group aryl halide sulfonyl pyridine organic oxygen compound organic sulfonic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine quinoline-3-carboxamide

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