28057

Source:http://linkedlifedata.com/resource/chembl/compound/28057

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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/C19H20N4O2/c1-24-17-10-14(9-15-11-22-19(21)23-18(15)20)7-8-16(17)25-12-13-5-3-2-4-6-13/h2-8,10-11H,9,12H2,1H3,(H4,20,21,22,23)
chemicalCompound:standardIn...	KRZXDTYOZAQOGL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(Cc2cnc(N)nc2N)ccc1OCc3ccccc3
chemicalCompound:molecularF...	C19 H20 N4 O2
chemicalCompound:moleculeId	28057
chemicalCompound:mwFreebase	336.388
chemicalCompound:alogp	3.143
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	96.28
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.246
chemicalCompound:acdLogD	2.108
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	336.388
chemicalCompound:acdMostBpk...	6.965
chemicalCompound:chemblId	CHEMBL22146
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:128057
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:215907, activity:215908, activity:215909, activity:215910, activity:215911, activity:215912, activity:215913, activity:215914, activity:215915, activity:215916, activity:215917, activity:215918, activity:215919, activity:215920, activity:215921, activity:215922, activity:388896, activity:656404, activity:656469, activity:897055, activity:897056, activity:897057, activity:984315, activity:984316, activity:984317, activity:984318, activity:984319, activity:984320, activity:1006583, activity:1006584, activity:1006585, activity:3394866