1028335

Source:http://linkedlifedata.com/resource/chembl/compound/1028335

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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/C16H16N4O2/c1-10-8-14(20-15(21)11-5-6-11)18-9-13(10)19-16(22)12-4-2-3-7-17-12/h2-4,7-9,11H,5-6H2,1H3,(H,19,22)(H,18,20,21)
chemicalCompound:standardIn...	IEFYVGVBYLBQRQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(NC(=O)C2CC2)ncc1NC(=O)c3ccccn3
chemicalCompound:molecularF...	C16H16N4O2
chemicalCompound:moleculeId	1028335
chemicalCompound:mwFreebase	296.324
chemicalCompound:alogp	1.645
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	83.98
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.001
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	296.324
chemicalCompound:acdMostBpk...	4.869
chemicalCompound:chemblId	CHEMBL1604451
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1128335
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:3825111, activity:3857373, activity:3877681, activity:4362140, activity:4720285, activity:5007259, activity:5467854, activity:5677317, activity:5748835, activity:5821955, activity:5930279, activity:7175630, activity:7200980, activity:7393156