539784

Source:http://linkedlifedata.com/resource/chembl/compound/539784

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1042
chemicalCompound:synonym	synonym:539784_GNF-PF-4555_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C12H17N5.ClH/c1-8-4-6-9(7-5-8)17-11(14)15-10(13)16-12(17,2)3;/h4-7H,1-3H3,(H4,13,14,15,16);1H
chemicalCompound:standardIn...	YPMIMCWABMFCKU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cc1ccc(cc1)N2C(=NC(=NC2(C)C)N)N
chemicalCompound:molecularF...	C12H18ClN5
chemicalCompound:moleculeId	539784
chemicalCompound:mwFreebase	231.297
chemicalCompound:alogp	1.445
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	80
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.106
chemicalCompound:acdLogD	-0.806
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	267.758
chemicalCompound:acdMostBpk...	10.045
chemicalCompound:chemblId	CHEMBL548155
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:639784
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:2818747, activity:2826030, activity:2826403, activity:2867663, activity:2886765, activity:2888430, activity:3037925, activity:3040307, activity:3042808, activity:3043661, activity:3047302, activity:3048429, activity:3048601, activity:3048773, activity:3048945, activity:3049117, activity:3049267, activity:3049439, activity:3049756, activity:3049928, activity:3050026, activity:3050198, activity:3050353, activity:3050525, activity:3050697, activity:3050793, activity:6233663, activity:6233786, activity:6234295