132023

Source:http://linkedlifedata.com/resource/chembl/compound/132023

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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/C15H16N4/c1-4-8-15(9-5-1)17-13-10-16-12-7-3-2-6-11(12)14(13)18-19-15/h2-3,6-7,10,17H,1,4-5,8-9H2
chemicalCompound:standardIn...	KFIVOGBYGMBKIH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C1CCC2(CC1)Nc3cnc4ccccc4c3N=N2
chemicalCompound:molecularF...	C15 H16 N4
chemicalCompound:moleculeId	132023
chemicalCompound:mwFreebase	252.314
chemicalCompound:alogp	3.926
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	49.64
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.437
chemicalCompound:acdLogD	2.437
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	252.314
chemicalCompound:acdMostBpk...	1.946
chemicalCompound:chemblId	CHEMBL83544
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:232023
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:1061116, activity:1061117, activity:1061118, activity:1061119, activity:1061120, activity:1061121, activity:1061122