193799

Source:http://linkedlifedata.com/resource/chembl/compound/193799

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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/C12H16N4O2/c1-18-10-5-7(2-3-9(10)17)4-8-6-15-12(14)16-11(8)13/h2-3,5,8,17H,4,6H2,1H3,(H4,13,14,15,16)
chemicalCompound:standardIn...	AEVQGDTWXFVBNY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(CC2CN=C(N)N=C2N)ccc1O
chemicalCompound:molecularF...	C12 H16 N4 O2
chemicalCompound:moleculeId	193799
chemicalCompound:mwFreebase	248.281
chemicalCompound:alogp	0.889
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	106.22
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.891
chemicalCompound:acdLogP	-0.074
chemicalCompound:acdLogD	-2.075
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	248.281
chemicalCompound:acdMostBpk...	15.822
chemicalCompound:chemblId	CHEMBL333024
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:293799
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:865798