88476

Source:http://linkedlifedata.com/resource/chembl/compound/88476

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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/C15H11N5O2/c21-20(22)12-5-3-4-11(10-12)18-15-17-9-7-14(19-15)13-6-1-2-8-16-13/h1-10H,(H,17,18,19)
chemicalCompound:standardIn...	DTCFXYVLDFXFEA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1cccc(Nc2nccc(n2)c3ccccn3)c1
chemicalCompound:molecularF...	C15 H11 N5 O2
chemicalCompound:moleculeId	88476
chemicalCompound:mwFreebase	293.28
chemicalCompound:alogp	2.604
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	96.52
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.171
chemicalCompound:acdLogD	3.171
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	293.28
chemicalCompound:acdMostBpk...	1.997
chemicalCompound:chemblId	CHEMBL60816
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:188476
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:905991, activity:905992, activity:905993, activity:905994, activity:905995, activity:905996, activity:905997