450158

Source:http://linkedlifedata.com/resource/chembl/compound/450158

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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/C6H10N2O2/c1-6(5(7)9)3-2-4-8(6)10/h4H,2-3H2,1H3,(H2,7,9)
chemicalCompound:standardIn...	KLANKJVXTGUBGT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1(CCC=[N+]1[O-])C(=O)N
chemicalCompound:molecularF...	C6H10N2O2
chemicalCompound:moleculeId	450158
chemicalCompound:mwFreebase	142.156
chemicalCompound:alogp	-1.295
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	71.84
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	-2.846
chemicalCompound:acdLogD	-2.846
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	142.156
chemicalCompound:acdMostBpk...	1.83
chemicalCompound:chemblId	CHEMBL445448
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:550158
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:2376522, activity:2376527