87522

Source:http://linkedlifedata.com/resource/chembl/compound/87522

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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/C15H20N4O2/c1-2-10-3-9(5-12(7-20)13(10)8-21)4-11-6-18-15(17)19-14(11)16/h3,5-6,20-21H,2,4,7-8H2,1H3,(H4,16,17,18,19)
chemicalCompound:standardIn...	AQPUXQDHDFBYAE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCc1cc(Cc2cnc(N)nc2N)cc(CO)c1CO
chemicalCompound:molecularF...	C15 H20 N4 O2
chemicalCompound:moleculeId	87522
chemicalCompound:mwFreebase	288.345
chemicalCompound:alogp	1.326
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	118.28
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.337
chemicalCompound:acdLogD	0.169
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	288.345
chemicalCompound:acdMostBpk...	7.073
chemicalCompound:chemblId	CHEMBL53516
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:187522
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:638469, activity:638470, activity:638471, activity:638472, activity:638473, activity:1018012, activity:1018013, activity:1018014, activity:1018015