Metabolomics Structure Database

 
MW REGNO: 152129
Common Name:Olaparib
Systematic Name:4-{[3-(4-cyclopropanecarbonylpiperazine-1-carbonyl)-4-fluorophenyl]methyl}-1,2-dihydrophthalazin-1-one
Synonyms:4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one; Olaparib [PubChem Synonyms]
Exact Mass:
434.1754 (neutral)    Calculate m/z:
Formula:C24H23FN4O3
InChIKey:FDLYAMZZIXQODN-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Diazanaphthalenes [C0004788]
ClassyFire subclass:Benzodiazines [C0004789]
ClassyFire direct parent:Phthalazines [C0000207]
SMILES:c1ccc2c(c1)c(Cc1ccc(c(c1)C(=O)N1CCN(CC1)C(=O)C1CC1)F)n[nH]c2=O
Studies:-

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External database links:

PubChem CID:23725625
CHEBI ID:83766
HMDB ID:HMDB0255929
Drugbank ID:DB09074
CHEMBL ID:CHEMBL521686

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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