253969

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

Download in:

Named Graph Language Inference

Statements in which the resource exists.
Subject	Predicate	Object	Context
chemicalCompound:253969	rdf:type	chembl:ChemicalCompound	lld:chembl
chemicalCompound:253969	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	lld:chembl
chemicalCompound:253969	chemicalCompound:standardIn...	PXFUDSMGEYRNNC-ZCFIWIBFSA-N	lld:chembl
chemicalCompound:253969	chemicalCompound:canonicalS...	C[C@@H](N)C(=O)Nc1ccc(cc1)[N+](=O)[O-]	lld:chembl
chemicalCompound:253969	chemicalCompound:molecularF...	C9 H11 N3 O3	lld:chembl
chemicalCompound:253969	chemicalCompound:moleculeId	253969	lld:chembl
chemicalCompound:253969	chemicalCompound:mwFreebase	209.202	lld:chembl
chemicalCompound:253969	chemicalCompound:alogp	0.367	lld:chembl
chemicalCompound:253969	chemicalCompound:hba	4	lld:chembl
chemicalCompound:253969	chemicalCompound:hbd	2	lld:chembl
chemicalCompound:253969	chemicalCompound:psa	100.94	lld:chembl
chemicalCompound:253969	chemicalCompound:rtb	3	lld:chembl
chemicalCompound:253969	chemicalCompound:ro3Pass	N	lld:chembl
chemicalCompound:253969	chemicalCompound:numRo5viol...	0	lld:chembl
chemicalCompound:253969	chemicalCompound:medChemFri...	N	lld:chembl
chemicalCompound:253969	chemicalCompound:acdMostApk...	12.916	lld:chembl
chemicalCompound:253969	chemicalCompound:acdLogP	1.387	lld:chembl
chemicalCompound:253969	chemicalCompound:acdLogD	0.847	lld:chembl
chemicalCompound:253969	chemicalCompound:molecularS...	molecularSpecies:NEUTRAL	lld:chembl
chemicalCompound:253969	chemicalCompound:fullMwt	209.202	lld:chembl
chemicalCompound:253969	chemicalCompound:acdMostBpk...	7.858	lld:chembl
chemicalCompound:253969	chemicalCompound:chemblId	CHEMBL152134	lld:chembl
chemicalCompound:253969	chemicalCompound:maxPhase	0	lld:chembl
chemicalCompound:253969	chemicalCompound:therapeuti...	0	lld:chembl
chemicalCompound:253969	chemicalCompound:dosedIngre...	No	lld:chembl
chemicalCompound:253969	chemicalCompound:structureT...	structureType:MOL	lld:chembl
chemicalCompound:253969	chemicalCompound:chebi	https://linkedlifedata.com/...	lld:chembl
chemicalCompound:253969	chemicalCompound:moleculeTy...	moleculeType:Small molecule	lld:chembl
chemicalCompound:253969	chemicalCompound:oral	No	lld:chembl
chemicalCompound:253969	chemicalCompound:parenteral	No	lld:chembl
chemicalCompound:253969	chemicalCompound:topical	No	lld:chembl
chemicalCompound:253969	chemicalCompound:blackBoxWa...	No	lld:chembl
chemicalCompound:253969	chemicalCompound:naturalPro...	No	lld:chembl
chemicalCompound:253969	chemicalCompound:proDrug	No	lld:chembl
chemicalCompound:253969	chemicalCompound:activity	activity:140295	lld:chembl
chemicalCompound:253969	chemicalCompound:activity	activity:140296	lld:chembl
chemicalCompound:253969	chemicalCompound:activity	activity:140297	lld:chembl
http://linkedlifedata.com/r...	http://linkedlifedata.com/r...	chemicalCompound:253969	lld:chembl