281516

Source:http://linkedlifedata.com/resource/chembl/compound/281516

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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/C11H16N4O/c1-3-16-7-6-13-11-9-4-5-12-10(9)14-8(2)15-11/h4-5H,3,6-7H2,1-2H3,(H2,12,13,14,15)
chemicalCompound:standardIn...	JFABQLCELOTMRL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOCCNc1[nH]c(C)nc2nccc12
chemicalCompound:molecularF...	C11 H16 N4 O
chemicalCompound:moleculeId	281516
chemicalCompound:mwFreebase	220.271
chemicalCompound:alogp	0.51
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	62.83
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.708
chemicalCompound:acdLogD	-1.292
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	220.271
chemicalCompound:acdMostBpk...	13.282
chemicalCompound:chemblId	CHEMBL354051
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:381516
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:192659