42719

Source:http://linkedlifedata.com/resource/chembl/compound/42719

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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/C14H18N4O2/c1-19-6-7-20-12-4-2-10(3-5-12)8-11-9-17-14(16)18-13(11)15/h2-5,9H,6-8H2,1H3,(H4,15,16,17,18)
chemicalCompound:standardIn...	IPNRBRMBXBDEFP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COCCOc1ccc(Cc2cnc(N)nc2N)cc1
chemicalCompound:molecularF...	C14 H18 N4 O2
chemicalCompound:moleculeId	42719
chemicalCompound:mwFreebase	274.318
chemicalCompound:alogp	1.445
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	96.28
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.082
chemicalCompound:acdLogD	0.907
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	274.318
chemicalCompound:acdMostBpk...	7.088
chemicalCompound:chemblId	CHEMBL418584
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:142719
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:399486, activity:399487, activity:496281, activity:662524, activity:666380, activity:748703, activity:748704, activity:867867, activity:992012, activity:992013, activity:992014, activity:992015, activity:1013840, activity:1013841, activity:1078415, activity:1078416, activity:1173241