66033

Source:http://linkedlifedata.com/resource/chembl/compound/66033

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
chemicalCompound:standardIn...	UCMIRNVEIXFBKS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCCC(=O)O
chemicalCompound:molecularF...	C3H7NO2
chemicalCompound:moleculeId	66033
chemicalCompound:mwFreebase	89.0932
chemicalCompound:alogp	-3.397
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	63.32
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.65
chemicalCompound:acdLogP	-0.882
chemicalCompound:acdLogD	-3.382
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	89.0932
chemicalCompound:acdMostBpk...	10.24
chemicalCompound:chemblId	CHEMBL297569
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:166033
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	BETA-ALANINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:16958
chemicalCompound:activity	activity:422940, activity:422941, activity:949455, activity:1245975, activity:1604388, activity:1604389, activity:1604390, activity:4675246, activity:5989378, activity:6023342, activity:6026650, activity:6034669, activity:6067344, activity:6191495, activity:6191499, activity:6191503, activity:6191507, activity:6254675, activity:6254680, activity:6254686, activity:6254689, activity:6254692, activity:7042952, activity:7928294, activity:7928344