580942

Source:http://linkedlifedata.com/resource/chembl/compound/580942

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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/C6H6N4/c7-4-1-2-8-6-5(4)9-3-10-6/h1-3H,(H3,7,8,9,10)
chemicalCompound:standardIn...	WVUMWAQTSDFVGS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ccnc2[nH]cnc12
chemicalCompound:molecularF...	C6H6N4
chemicalCompound:moleculeId	580942
chemicalCompound:mwFreebase	134.139
chemicalCompound:alogp	-0.353
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	67.59
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.017
chemicalCompound:acdLogP	0.526
chemicalCompound:acdLogD	-0.286
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	134.139
chemicalCompound:acdMostBpk...	7.977
chemicalCompound:chemblId	CHEMBL579385
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:680942
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:3010377, activity:3010434, activity:3010457