68413

Source:http://linkedlifedata.com/resource/chembl/compound/68413

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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/C13H16N4O2/c1-9(2)10-3-5-11(6-4-10)17-8-12(7-15-16-14)19-13(17)18/h3-6,9,12H,7-8H2,1-2H3
chemicalCompound:standardIn...	BEQDBKQJGWFXQD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)c1ccc(cc1)N2CC(CN=[N+]=[N-])OC2=O
chemicalCompound:molecularF...	C13 H16 N4 O2
chemicalCompound:moleculeId	68413
chemicalCompound:mwFreebase	260.292
chemicalCompound:alogp	3.603
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	79.28
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.692
chemicalCompound:acdLogD	3.692
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	260.292
chemicalCompound:chemblId	CHEMBL294945
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:168413
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:1012674, activity:1012675