246253

Source:http://linkedlifedata.com/resource/chembl/compound/246253

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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/C4H5N3O/c5-1-3-2-7(3)4(6)8/h3H,2H2,(H2,6,8)
chemicalCompound:standardIn...	RMSRKYVNQYEPHO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)N1CC1C#N
chemicalCompound:molecularF...	C4 H5 N3 O
chemicalCompound:moleculeId	246253
chemicalCompound:mwFreebase	111.102
chemicalCompound:alogp	-0.946
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	69.89
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-1.326
chemicalCompound:acdLogD	-1.326
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	111.102
chemicalCompound:chemblId	CHEMBL146639
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:346253
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:240324, activity:240325, activity:240326, activity:1021611, activity:1021612, activity:1021613, activity:1021614, activity:1021615, activity:1021616, activity:1021617, activity:1021618, activity:1021619, activity:1021620, activity:1021621, activity:1021622