253969

Source:http://linkedlifedata.com/resource/chembl/compound/253969

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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/C9H11N3O3/c1-6(10)9(13)11-7-2-4-8(5-3-7)12(14)15/h2-6H,10H2,1H3,(H,11,13)/t6-/m1/s1
chemicalCompound:standardIn...	PXFUDSMGEYRNNC-ZCFIWIBFSA-N
chemicalCompound:canonicalS...	C[C@@H](N)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
chemicalCompound:molecularF...	C9 H11 N3 O3
chemicalCompound:moleculeId	253969
chemicalCompound:mwFreebase	209.202
chemicalCompound:alogp	0.367
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	100.94
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.916
chemicalCompound:acdLogP	1.387
chemicalCompound:acdLogD	0.847
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	209.202
chemicalCompound:acdMostBpk...	7.858
chemicalCompound:chemblId	CHEMBL152134
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:353969
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:140295, activity:140296, activity:140297