694608

Source:http://linkedlifedata.com/resource/chembl/compound/694608

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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)/t5-/m1/s1
chemicalCompound:standardIn...	ROHFNLRQFUQHCH-RXMQYKEDSA-N
chemicalCompound:canonicalS...	CC(C)C[C@@H](N)C(=O)O
chemicalCompound:molecularF...	C6H13NO2
chemicalCompound:moleculeId	694608
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	CHEMBL1232258
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:794608
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	D-LEUCINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:28225
chemicalCompound:activity	activity:3647458, activity:4415971, activity:6512469, activity:7038893