90815

Source:http://linkedlifedata.com/resource/chembl/compound/90815

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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:90815_Threonine_OTHER
chemicalCompound:standardIn...	InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
chemicalCompound:standardIn...	AYFVYJQAPQTCCC-GBXIJSLDSA-N
chemicalCompound:canonicalS...	C[C@@H](O)[C@H](N)C(=O)O
chemicalCompound:molecularF...	C4H9NO3
chemicalCompound:moleculeId	90815
chemicalCompound:mwFreebase	119.119
chemicalCompound:alogp	-3.672
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	83.55
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.186
chemicalCompound:acdLogP	-1.136
chemicalCompound:acdLogD	-3.638
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	119.119
chemicalCompound:acdMostBpk...	9.4
chemicalCompound:chemblId	CHEMBL291747
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:190815
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	THREONINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:16857
chemicalCompound:activity	activity:233004, activity:233005, activity:1202438, activity:3420942