454513

Source:http://linkedlifedata.com/resource/chembl/compound/454513

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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/C8H9N3O3/c1-4-6(8(10)12)2-5(11(13)14)3-7(4)9/h2-3H,9H2,1H3,(H2,10,12)
chemicalCompound:standardIn...	RBLRQBGOUCRKRT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1c(N)cc(cc1C(=O)N)[N+](=O)[O-]
chemicalCompound:molecularF...	C8H9N3O3
chemicalCompound:moleculeId	454513
chemicalCompound:mwFreebase	195.175
chemicalCompound:alogp	0.466
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	114.93
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	-0.22
chemicalCompound:acdLogD	-0.22
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	195.175
chemicalCompound:acdMostBpk...	1.361
chemicalCompound:chemblId	CHEMBL510184
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:554513
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:2588807, activity:2588853