131421

Source:http://linkedlifedata.com/resource/chembl/compound/131421

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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/C7H6N4/c1-5-9-6-3-2-4-8-7(6)11-10-5/h2-4H,1H3
chemicalCompound:standardIn...	TYYIWEFAWZZEOE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1nnc2ncccc2n1
chemicalCompound:molecularF...	C7 H6 N4
chemicalCompound:moleculeId	131421
chemicalCompound:mwFreebase	146.149
chemicalCompound:alogp	0.349
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	51.56
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.599
chemicalCompound:acdLogD	0.599
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	146.149
chemicalCompound:acdMostBpk...	0.283
chemicalCompound:chemblId	CHEMBL312138
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:231421
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:1045297, activity:1045298, activity:1045299, activity:1045300, activity:1045301, activity:1045302, activity:1045303