379381

Source:http://linkedlifedata.com/resource/chembl/compound/379381

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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/C9H12N2O3/c12-9(11-13)6-10-14-7-8-4-2-1-3-5-8/h1-5,10,13H,6-7H2,(H,11,12)
chemicalCompound:standardIn...	PMVJGZGFFBJYLQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	ONC(=O)CNOCc1ccccc1
chemicalCompound:molecularF...	C9 H12 N2 O3
chemicalCompound:moleculeId	379381
chemicalCompound:mwFreebase	196.203
chemicalCompound:alogp	0.008
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	70.59
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.495
chemicalCompound:acdLogP	1.05
chemicalCompound:acdLogD	1.045
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	196.203
chemicalCompound:acdMostBpk...	1
chemicalCompound:chemblId	CHEMBL226149
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:479381
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:1875502, activity:1875522, activity:1875542, activity:1875564, activity:1875579