450160

Source:http://linkedlifedata.com/resource/chembl/compound/450160

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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/C8H14N2O2/c1-2-4-8(7(9)11)5-3-6-10(8)12/h6H,2-5H2,1H3,(H2,9,11)
chemicalCompound:standardIn...	VTKKRVSAQSZQRH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCC1(CCC=[N+]1[O-])C(=O)N
chemicalCompound:molecularF...	C8H14N2O2
chemicalCompound:moleculeId	450160
chemicalCompound:mwFreebase	170.209
chemicalCompound:alogp	-0.315
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	71.84
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	-1.827
chemicalCompound:acdLogD	-1.827
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	170.209
chemicalCompound:acdMostBpk...	1.83
chemicalCompound:chemblId	CHEMBL453754
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:550160
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:2376520, activity:2376525, activity:2376530, activity:2376532, activity:2376534, activity:2376535, activity:2376536