418971

Source:http://linkedlifedata.com/resource/chembl/compound/418971

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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/C13H11N5O2/c1-9(19)15-11-8-12(18-6-3-5-14-18)17-13(16-11)10-4-2-7-20-10/h2-8H,1H3,(H,15,16,17,19)
chemicalCompound:standardIn...	YBZHQFAVAQZLFB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Nc1cc(nc(n1)c2occc2)n3cccn3
chemicalCompound:molecularF...	C13H11N5O2
chemicalCompound:moleculeId	418971
chemicalCompound:mwFreebase	269.259
chemicalCompound:alogp	1.491
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	85.84
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.969
chemicalCompound:acdLogP	1.769
chemicalCompound:acdLogD	1.769
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	269.259
chemicalCompound:acdMostBpk...	2.693
chemicalCompound:chemblId	CHEMBL401321
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:518971
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:2067945, activity:2067947, activity:2067963, activity:2082348, activity:2082349, activity:2082350, activity:2398009, activity:2398011, activity:2399624, activity:2399625