418970

Source:http://linkedlifedata.com/resource/chembl/compound/418970

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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/C11H9N5O/c12-9-7-10(16-5-2-4-13-16)15-11(14-9)8-3-1-6-17-8/h1-7H,(H2,12,14,15)
chemicalCompound:standardIn...	SSPIGFDAVQVRCH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1cc(nc(n1)c2occc2)n3cccn3
chemicalCompound:molecularF...	C11 H9 N5 O
chemicalCompound:moleculeId	418970
chemicalCompound:mwFreebase	227.222
chemicalCompound:alogp	1.624
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	82.76
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.477
chemicalCompound:acdLogD	1.477
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	227.222
chemicalCompound:acdMostBpk...	3.298
chemicalCompound:chemblId	CHEMBL399529
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:518970
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:2067943, activity:2067944, activity:2067946, activity:2067964, activity:2067965