1058

Source:http://linkedlifedata.com/resource/chembl/compound/1058

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C12H14N4/c1-2-4-11-10(3-1)14-9-12(15-11)16-7-5-13-6-8-16/h1-4,9,13H,5-8H2
chemicalCompound:standardIn...	RELPOLSGTUYMFR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C1CN(CCN1)c2cnc3ccccc3n2
chemicalCompound:molecularF...	C12H14N4
chemicalCompound:moleculeId	1058
chemicalCompound:mwFreebase	214.266
chemicalCompound:alogp	1.416
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	41.05
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.001
chemicalCompound:acdLogD	-0.083
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	214.266
chemicalCompound:acdMostBpk...	8.578
chemicalCompound:chemblId	CHEMBL6780
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101058
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No