85364

Source:http://linkedlifedata.com/resource/chembl/compound/85364

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:85364_ASPARAGINE_OTHER, synonym:85364_L-asparagine_OTHER
chemicalCompound:standardIn...	InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
chemicalCompound:standardIn...	DCXYFEDJOCDNAF-REOHCLBHSA-N
chemicalCompound:canonicalS...	N[C@@H](CC(=O)N)C(=O)O
chemicalCompound:molecularF...	C4H8N2O3
chemicalCompound:moleculeId	85364
chemicalCompound:mwFreebase	132.118
chemicalCompound:alogp	-4.408
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	106.41
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.301
chemicalCompound:acdLogP	-1.88
chemicalCompound:acdLogD	-4.44
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	132.118
chemicalCompound:acdMostBpk...	8.416
chemicalCompound:chemblId	CHEMBL58832
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:185364
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ASPARAGINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:17196
chemicalCompound:activity	activity:258483, activity:258484, activity:891274, activity:891275