314974

Source:http://linkedlifedata.com/resource/chembl/compound/314974

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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/C14H10N6O/c15-13-12(18-21-19-13)14-17-10-8-16-7-6-11(10)20(14)9-4-2-1-3-5-9/h1-8H,(H2,15,19)
chemicalCompound:standardIn...	JYSFZHAAVUOTPM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nonc1c2nc3cnccc3n2c4ccccc4
chemicalCompound:molecularF...	C14 H10 N6 O
chemicalCompound:moleculeId	314974
chemicalCompound:mwFreebase	278.269
chemicalCompound:alogp	1.927
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	95.65
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.742
chemicalCompound:acdLogD	3.742
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	278.269
chemicalCompound:acdMostBpk...	4.529
chemicalCompound:chemblId	CHEMBL188433
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:414974
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:1475809, activity:1476519, activity:1476520, activity:1476521