513137

Source:http://linkedlifedata.com/resource/chembl/compound/513137

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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/C12H19N3O/c1-9(13)12(16)15-8-11(14)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13-14H2,1H3,(H,15,16)/t9-,11+/m0/s1
chemicalCompound:standardIn...	UOIHWOBJIFVAIQ-GXSJLCMTSA-N
chemicalCompound:canonicalS...	C[C@H](N)C(=O)NC[C@H](N)Cc1ccccc1
chemicalCompound:molecularF...	C12H19N3O
chemicalCompound:moleculeId	513137
chemicalCompound:mwFreebase	221.299
chemicalCompound:alogp	0
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	81.14
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-1.172
chemicalCompound:acdLogD	-2.441
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	221.299
chemicalCompound:acdMostBpk...	8.267
chemicalCompound:chemblId	CHEMBL457657
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:613137
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:2477641, activity:2477642