65913

Source:http://linkedlifedata.com/resource/chembl/compound/65913

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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/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
chemicalCompound:standardIn...	ROHFNLRQFUQHCH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)CC(N)C(=O)O
chemicalCompound:molecularF...	C6 H13 N O2
chemicalCompound:moleculeId	65913
chemicalCompound:mwFreebase	131.173
chemicalCompound:alogp	-1.93
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	63.32
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.55
chemicalCompound:acdLogP	0.799
chemicalCompound:acdLogD	-1.703
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	131.173
chemicalCompound:acdMostBpk...	9.785
chemicalCompound:chemblId	CHEMBL46575
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:165913
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	LEUCINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:25017
chemicalCompound:activity	activity:967677, activity:2150118, activity:2150119, activity:5328977, activity:8245740, activity:8279580, activity:8305947, activity:8366799, activity:8396350, activity:8473481, activity:8493532, activity:8572214, activity:8578634, activity:8583524, activity:8639107, activity:8655997, activity:8719525, activity:8759706, activity:8766776, activity:8803098, activity:8864103, activity:8894890, activity:8924342, activity:9017024, activity:9063364, activity:9088919, activity:9139521, activity:9175508, activity:9283761, activity:9285686, activity:9352243, activity:9421852, activity:9428636, activity:9437817, activity:9500702, activity:9534651, activity:9679396, activity:9712336, activity:9783716, activity:9859023, activity:9888043, activity:9926066, activity:9981009, activity:9992355, activity:10072728, activity:10163884, activity:10166388, activity:10217831, activity:10246094, activity:10298559, activity:10368856, activity:10392475, activity:10415486, activity:10438627, activity:10490081, activity:10587294, activity:10604999, activity:10667778, activity:10696221, activity:10773846, activity:10789358