647798

Source:http://linkedlifedata.com/resource/chembl/compound/647798

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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/C14H11N7/c1-3-7-15-11(5-1)9-17-13-19-14(21-20-13)18-10-12-6-2-4-8-16-12/h1-10H,(H,19,20,21)/b17-9+,18-10+
chemicalCompound:standardIn...	ZMZMEYZKDKLRSY-BEQMOXJMSA-N
chemicalCompound:canonicalS...	C(=N\c1n[nH]c(\N=C\c2ccccn2)n1)/c3ccccn3
chemicalCompound:molecularF...	C14H11N7
chemicalCompound:moleculeId	647798
chemicalCompound:mwFreebase	277.284
chemicalCompound:alogp	2.401
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	92.07
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.618
chemicalCompound:acdLogP	2.956
chemicalCompound:acdLogD	2.955
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	277.284
chemicalCompound:acdMostBpk...	3.236
chemicalCompound:chemblId	CHEMBL1171752
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:747798
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:3356479, activity:3356484, activity:3356489, activity:3356494, activity:3356499, activity:3356504, activity:3356509, activity:3356513, activity:3356517, activity:3356521, activity:3356525, activity:3356529, activity:3356533, activity:3356553, activity:3356554, activity:3356555, activity:3356556, activity:3356557, activity:3356558