222985

Source:http://linkedlifedata.com/resource/chembl/compound/222985

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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/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)
chemicalCompound:standardIn...	FFYTTYVSDVWNMY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1nc(c[nH]1)[N+](=O)[O-]
chemicalCompound:molecularF...	C4 H5 N3 O2
chemicalCompound:moleculeId	222985
chemicalCompound:mwFreebase	127.101
chemicalCompound:alogp	0.411
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	74.5
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.867
chemicalCompound:acdLogP	0.208
chemicalCompound:acdLogD	0.194
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	127.101
chemicalCompound:acdMostBpk...	1.419
chemicalCompound:chemblId	CHEMBL134454
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:322985
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:134244, activity:134245, activity:134246, activity:134247, activity:134248, activity:134249, activity:134250, activity:909723, activity:909724, activity:909725, activity:909726, activity:909727, activity:909728, activity:909729, activity:909730, activity:909731, activity:909732, activity:909733, activity:909734