586888

Source:http://linkedlifedata.com/resource/chembl/compound/586888

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:586888_GNF-PF-5510_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C20H16N6/c21-13-4-1-11(2-5-13)19-23-15-7-3-12(9-17(15)25-19)20-24-16-8-6-14(22)10-18(16)26-20/h1-10H,21-22H2,(H,23,25)(H,24,26)
chemicalCompound:standardIn...	PAGZCEHLFCJSPV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ccc(cc1)c2nc3ccc(cc3[nH]2)c4nc5ccc(N)cc5[nH]4
chemicalCompound:molecularF...	C20H16N6
chemicalCompound:moleculeId	586888
chemicalCompound:mwFreebase	340.381
chemicalCompound:alogp	3.218
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	109.4
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.669
chemicalCompound:acdLogP	0.443
chemicalCompound:acdLogD	0.427
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	340.381
chemicalCompound:acdMostBpk...	6.515
chemicalCompound:chemblId	CHEMBL578741
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:686888
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:3026445, activity:3027292, activity:3042126, activity:3044248, activity:3480569, activity:3480570, activity:3480571, activity:3480572, activity:3480573, activity:3480574, activity:3480575, activity:3482619, activity:3482700, activity:3483484, activity:3483565, activity:3483645, activity:3483726, activity:3483807, activity:3634988, activity:3671834, activity:3672143, activity:3684027, activity:3686997, activity:3692099, activity:3692448, activity:3692892, activity:3693350, activity:3695143, activity:3701076, activity:3707366, activity:3780867, activity:3797382, activity:3798774, activity:3863282, activity:3897137, activity:3928474, activity:3933368, activity:3934875, activity:3948826, activity:3966039, activity:3987797, activity:3988019, activity:3997326, activity:4014814, activity:4019013, activity:4019831, activity:4035181, activity:4055713, activity:4084693, activity:4144869, activity:4183552, activity:4278480, activity:4358296, activity:4372365, activity:4388180, activity:4402576, activity:4413791, activity:4437707, activity:4472459, activity:4524681, activity:4535313, activity:4535796, activity:4538166, activity:4548828, activity:4564154