DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:08:38 UTC
Update Date	2025-03-21 18:30:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00082888
Frequency	34.8
Structure
Chemical Formula	C₃₀H₂₉Cl₂N₅O₄
Molecular Mass	593.1597
SMILES	O=C(c1cccnc1)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
InChI Key	WZOZPHGYOSMJSY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	diazinanes
Subclass	piperazines
Direct Parent	phenylpiperazines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,3-dioxolanes alkyl aryl ethers amino acids and derivatives aminophenyl ethers aniline and substituted anilines aryl chlorides azacyclic compounds carboxylic acids and derivatives dialkylarylamines dichlorobenzenes heteroaromatic compounds hydrocarbon derivatives imidazoles ketals n-arylpiperazines n-substituted imidazoles organic oxides organochlorides organopnictogen compounds oxacyclic compounds phenoxy compounds pyridinecarboxylic acids and derivatives tertiary carboxylic acid amides
Substituents	pyridine carboxylic acid or derivatives phenol ether monocyclic benzene moiety meta-dioxolane ether aromatic heteromonocyclic compound amino acid or derivatives organochloride alkyl aryl ether carboxylic acid derivative organohalogen compound 1,3-dichlorobenzene organic oxide acetal imidazole ketal tertiary aliphatic/aromatic amine tertiary carboxylic acid amide organonitrogen compound organopnictogen compound dialkylarylamine aminophenyl ether tertiary amine azole n-substituted imidazole aryl chloride chlorobenzene azacycle aniline or substituted anilines heteroaromatic compound carboxamide group aryl halide phenylpiperazine oxacycle pyridine organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound halobenzene phenoxy compound amine n-arylpiperazine organooxygen compound

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