568950

Source:http://linkedlifedata.com/resource/chembl/compound/568950

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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/C14H15N3/c1-17(12-13-8-4-2-5-9-13)16-15-14-10-6-3-7-11-14/h2-11H,12H2,1H3/b16-15+
chemicalCompound:standardIn...	AZKJDCFQZVEZJK-FOCLMDBBSA-N
chemicalCompound:canonicalS...	CN(Cc1ccccc1)N=Nc2ccccc2
chemicalCompound:molecularF...	C14H15N3
chemicalCompound:moleculeId	568950
chemicalCompound:mwFreebase	225.289
chemicalCompound:alogp	3.797
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	27.96
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.264
chemicalCompound:acdLogD	4.264
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	225.289
chemicalCompound:acdMostBpk...	0.359
chemicalCompound:chemblId	CHEMBL573626
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668950
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:2913481, activity:2913527, activity:2913585, activity:2913643, activity:2913701, activity:2913759, activity:2913817, activity:2914247, activity:2914280, activity:2914338, activity:2914396, activity:2914478, activity:2914498, activity:2914519, activity:2914540