951838

Source:http://linkedlifedata.com/resource/chembl/compound/951838

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:370657
chemicalCompound:standardIn...	InChI=1S/C9H4N4O4.Na/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5;/h1-2H,(H,11,14)(H,12,15);/q;+1/p-2
chemicalCompound:standardIn...	PAOXHGGKWWGNSX-UHFFFAOYSA-L
chemicalCompound:canonicalS...	[Na+].[O-]c1nc2cc(C#N)c(cc2nc1[O-])[N+](=O)[O-]
chemicalCompound:molecularF...	C9H2N4NaO4
chemicalCompound:moleculeId	951838
chemicalCompound:mwFreebase	232.152
chemicalCompound:alogp	1.661
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	135.85
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.84
chemicalCompound:acdLogP	1.316
chemicalCompound:acdLogD	-1.364
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	253.126
chemicalCompound:chemblId	CHEMBL1527954
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1051838
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:4718346, activity:5340719, activity:5381149, activity:6463647