246846

Source:http://linkedlifedata.com/resource/chembl/compound/246846

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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/C5H7N3O/c1-7-5(9)8-3-4(8)2-6/h4H,3H2,1H3,(H,7,9)
chemicalCompound:standardIn...	WEQIAZAZNSPRDD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNC(=O)N1CC1C#N
chemicalCompound:molecularF...	C5 H7 N3 O
chemicalCompound:moleculeId	246846
chemicalCompound:mwFreebase	125.129
chemicalCompound:alogp	-0.74
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	55.9
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.957
chemicalCompound:acdLogP	-0.991
chemicalCompound:acdLogD	-0.991
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	125.129
chemicalCompound:chemblId	CHEMBL344279
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:346846
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:233718, activity:233719, activity:233720, activity:1011236, activity:1011237, activity:1011238, activity:1011239, activity:1011240, activity:1011241, activity:1011242, activity:1011243, activity:1011244, activity:1011245, activity:1011246, activity:1011247