378544

Source:http://linkedlifedata.com/resource/chembl/compound/378544

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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/C17H12N6O2/c24-23-7-1-3-12(10-23)21-17-19-9-13(14-5-6-18-11-20-14)16(22-17)15-4-2-8-25-15/h1-11H,(H,19,21,22)
chemicalCompound:standardIn...	UOPAUGXJSSLKIS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][n+]1cccc(Nc2ncc(c3ccncn3)c(n2)c4occc4)c1
chemicalCompound:molecularF...	C17 H12 N6 O2
chemicalCompound:moleculeId	378544
chemicalCompound:mwFreebase	332.316
chemicalCompound:alogp	1
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	102.19
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.531
chemicalCompound:acdLogD	-0.531
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	332.316
chemicalCompound:acdMostBpk...	0.791
chemicalCompound:chemblId	CHEMBL390600
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:478544
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:1880895, activity:1880904, activity:1880913, activity:1880923, activity:1880928, activity:1880937, activity:1880949