458839

Source:http://linkedlifedata.com/resource/chembl/compound/458839

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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/C4H4N4O3/c9-3-2(7-8-11)1-5-4(10)6-3/h1H,(H,7,11)(H2,5,6,9,10)
chemicalCompound:standardIn...	OIXPJPUFFXAGLN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ncc(NN=O)c(O)n1
chemicalCompound:molecularF...	C4H4N4O3
chemicalCompound:moleculeId	458839
chemicalCompound:mwFreebase	156.1
chemicalCompound:alogp	0.258
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	107.7
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.271
chemicalCompound:acdLogP	-0.767
chemicalCompound:acdLogD	-4.258
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	156.1
chemicalCompound:acdMostBpk...	13.446
chemicalCompound:chemblId	CHEMBL453151
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:558839
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:2610240, activity:2610241, activity:2610242, activity:2610246, activity:2610247, activity:2610248, activity:2610252, activity:2610253, activity:2610254, activity:2610255, activity:2610259, activity:8258894, activity:8274961, activity:8308464, activity:8323528, activity:8413593, activity:8420702, activity:8440248, activity:8451243, activity:8513471, activity:8524570, activity:8601247, activity:8666350, activity:8677821, activity:8777226, activity:8784165, activity:8809628, activity:8834709, activity:8912639, activity:8937564, activity:9052778, activity:9081038, activity:9106272, activity:9197537, activity:9230575, activity:9236943, activity:9299077, activity:9368725, activity:9375514, activity:9448190, activity:9455041, activity:9695890, activity:9705992, activity:9725307, activity:9800441, activity:9872076, activity:9901077, activity:9972522, activity:10011628, activity:10023019, activity:10089666, activity:10130936, activity:10192918, activity:10221908, activity:10259460, activity:10278894, activity:10381738, activity:10451274, activity:10503108, activity:10599950, activity:10626235, activity:10709334, activity:10795192, activity:10806316