Metabolomics Structure Database

 
MW REGNO: 62791
Common Name:AZD4547
Systematic Name:N-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide
Synonyms:AZD-4547; N-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-4-(cis-3,5-dimethylpiperazin-1-yl)benzamide [PubChem Synonyms]
Exact Mass:
463.2583 (neutral)    Calculate m/z:
Formula:C26H33N5O3
InChIKey:VRQMAABPASPXMW-HDICACEKSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Diazinanes [C0002389]
ClassyFire subclass:Piperazines [C0000189]
ClassyFire direct parent:Phenylpiperazines [C0001984]
SMILES:C[C@H]1CN(C[C@@H](C)N1)c1ccc(cc1)C(=O)Nc1cc(CCc2cc(cc(c2)OC)OC)[nH]n1
Studies:-

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Human Pathway links:

REACTOME pathways containing this metabolite

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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