DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:40 UTC
Update Date	2025-03-25 00:49:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02175415
Frequency	0.5
Structure
Chemical Formula	C₂₈H₃₀ClF₃N₄O₃
Molecular Mass	562.1959
SMILES	CC(=O)N1CCN(c2ccc(OCC3(C(F)(F)F)CCC(Cn4ccnc4)(c4ccc(Cl)cc4)O3)cc2)CC1
InChI Key	DRPNJCNRQRJIAP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	diazinanes
Subclass	piperazines
Direct Parent	phenylpiperazines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetamides alkyl aryl ethers alkyl fluorides amino acids and derivatives aminophenyl ethers aniline and substituted anilines aryl chlorides azacyclic compounds carbonyl compounds carboxylic acids and derivatives chlorobenzenes dialkyl ethers dialkylarylamines heteroaromatic compounds hydrocarbon derivatives imidazoles n-arylpiperazines n-substituted imidazoles organic oxides organochlorides organofluorides organopnictogen compounds oxacyclic compounds phenoxy compounds tertiary carboxylic acid amides tetrahydrofurans
Substituents	phenol ether monocyclic benzene moiety amino acid or derivatives organochloride dialkyl ether organonitrogen compound aminophenyl ether acetamide aryl chloride chlorobenzene azacycle alkyl fluoride heteroaromatic compound aryl halide phenylpiperazine hydrocarbon derivative halobenzene phenoxy compound amine carbonyl group ether aromatic heteromonocyclic compound alkyl aryl ether carboxylic acid derivative organohalogen compound organic oxide imidazole tertiary aliphatic/aromatic amine tertiary carboxylic acid amide organopnictogen compound alkyl halide dialkylarylamine tertiary amine azole n-substituted imidazole tetrahydrofuran organofluoride aniline or substituted anilines carboxamide group oxacycle organic oxygen compound benzenoid organic nitrogen compound n-arylpiperazine organooxygen compound

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