16552

Source:http://linkedlifedata.com/resource/chembl/compound/16552

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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/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
chemicalCompound:standardIn...	OPTASPLRGRRNAP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1=NC(=O)NC=C1
chemicalCompound:molecularF...	C4H5N3O
chemicalCompound:moleculeId	16552
chemicalCompound:mwFreebase	111.102
chemicalCompound:alogp	-0.958
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	67.48
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.339
chemicalCompound:acdLogP	-1.73
chemicalCompound:acdLogD	-1.73
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	111.102
chemicalCompound:acdMostBpk...	4.4
chemicalCompound:chemblId	CHEMBL15913
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:116552
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	CYTOSINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:16040
chemicalCompound:activity	activity:172812, activity:172813, activity:298582, activity:6435011