688483

Source:http://linkedlifedata.com/resource/chembl/compound/688483

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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/C10H20N2O3/c1-4-7(11)9(13)12-8(10(14)15)5-6(2)3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1
chemicalCompound:standardIn...	HZWLOEXZZWASBH-YUMQZZPRSA-N
chemicalCompound:canonicalS...	CC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)O
chemicalCompound:molecularF...	C10H20N2O3
chemicalCompound:moleculeId	688483
chemicalCompound:mwFreebase	216.277
chemicalCompound:alogp	-1.862
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	92.42
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.157
chemicalCompound:acdLogP	0.299
chemicalCompound:acdLogD	-2.277
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	216.277
chemicalCompound:acdMostBpk...	8.652
chemicalCompound:chemblId	CHEMBL1222051
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:788483
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:3421029