2461

Source:http://linkedlifedata.com/resource/chembl/compound/2461

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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/C12H11N5/c13-11-10-12(15-7-14-11)17(8-16-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,13,14,15)
chemicalCompound:standardIn...	MRHCSNNEUHXNIC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ncnc2c1ncn2Cc3ccccc3
chemicalCompound:molecularF...	C12H11N5
chemicalCompound:moleculeId	2461
chemicalCompound:mwFreebase	225.249
chemicalCompound:alogp	1.347
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	69.62
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.658
chemicalCompound:acdLogD	1.657
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	225.249
chemicalCompound:acdMostBpk...	4.489
chemicalCompound:chemblId	CHEMBL266094
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:102461
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	9-BENZYL-9H-ADENINE
chemicalCompound:activity	activity:262163, activity:262164, activity:397235, activity:892123, activity:921973, activity:921974, activity:1113320, activity:1407826, activity:1407827, activity:1407828, activity:1407829, activity:1407830, activity:1407831, activity:1407832, activity:1407833, activity:1407834, activity:1407835, activity:1407836, activity:1407837, activity:1407838, activity:1407839, activity:1407840, activity:2281132, activity:2281182, activity:2281232, activity:2281282, activity:3009310, activity:3010405, activity:6693481, activity:6882586