429962

Source:http://linkedlifedata.com/resource/chembl/compound/429962

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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/C14H11BrN4O2/c15-9-6-8-12(16-11(9)10-2-1-5-21-10)18-19-13(8)17-14(20)7-3-4-7/h1-2,5-7H,3-4H2,(H2,16,17,18,19,20)
chemicalCompound:standardIn...	GVYKLTFFLMMUEN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1c4occc4
chemicalCompound:molecularF...	C14H11BrN4O2
chemicalCompound:moleculeId	429962
chemicalCompound:mwFreebase	347.167
chemicalCompound:alogp	3.03
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	83.81
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.867
chemicalCompound:acdLogP	1.708
chemicalCompound:acdLogD	1.466
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	347.167
chemicalCompound:acdMostBpk...	0.772
chemicalCompound:chemblId	CHEMBL408564
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:529962
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:119258, activity:119259, activity:119260, activity:119261, activity:119262, activity:119263, activity:119264, activity:119265, activity:119266, activity:119267, activity:119268, activity:119269, activity:119270, activity:119271, activity:119272, activity:119273, activity:119274, activity:119275, activity:119276, activity:119277, activity:119278, activity:119279, activity:119280, activity:119281, activity:119282, activity:2087886, activity:2154896, activity:2233889, activity:2233890, activity:2234736, activity:3447574, activity:8071671, activity:8071672, activity:8071673, activity:8071674, activity:8071675, activity:8071676, activity:8071677, activity:8071678, activity:8071679, activity:8071680, activity:8071681, activity:8071682, activity:8071683, activity:8071684, activity:8071685, activity:8071686, activity:8071687, activity:8071688, activity:8071689, activity:8071690, activity:8071691, activity:8071692, activity:8071693, activity:8071694, activity:8071695, activity:8071696, activity:8071697, activity:8071698, activity:8071699, activity:8071700, activity:8071701, activity:8071702, activity:8071703, activity:8071704, activity:8071705