82960

Source:http://linkedlifedata.com/resource/chembl/compound/82960

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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/C11H12N4O2/c1-6-4-7(2-3-8(6)12)13-9-5-10(16)15-11(17)14-9/h2-5H,12H2,1H3,(H3,13,14,15,16,17)
chemicalCompound:standardIn...	HTNZTLICIWTAFB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(Nc2cc(O)nc(O)n2)ccc1N
chemicalCompound:molecularF...	C11 H12 N4 O2
chemicalCompound:moleculeId	82960
chemicalCompound:mwFreebase	232.239
chemicalCompound:alogp	1.818
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	104.29
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.258
chemicalCompound:acdLogP	0.188
chemicalCompound:acdLogD	-3.283
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	232.239
chemicalCompound:acdMostBpk...	15.298
chemicalCompound:chemblId	CHEMBL54530
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:182960
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:31909, activity:31910, activity:814526, activity:814527