568939

Source:http://linkedlifedata.com/resource/chembl/compound/568939

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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/C12H9N5O4/c18-16(19)11-5-1-3-9(7-11)13-15-14-10-4-2-6-12(8-10)17(20)21/h1-8H,(H,13,14)
chemicalCompound:standardIn...	QFVCXCJCBCTQAP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1cccc(NN=Nc2cccc(c2)[N+](=O)[O-])c1
chemicalCompound:molecularF...	C12H9N5O4
chemicalCompound:moleculeId	568939
chemicalCompound:mwFreebase	287.231
chemicalCompound:alogp	3.373
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	128.38
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.588
chemicalCompound:acdLogD	3.588
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	287.231
chemicalCompound:chemblId	CHEMBL573372
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668939
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:2913486, activity:2913532, activity:2913590, activity:2913648, activity:2913706, activity:2913764, activity:2914194, activity:2914252, activity:2914285, activity:2914343, activity:2914401, activity:2914483, activity:2914503, activity:2914524, activity:2914545, activity:7065118