1292445

Source:http://linkedlifedata.com/resource/chembl/compound/1292445

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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/C19H17ClN6/c1-13-15(18(20)26(24-13)14-8-4-3-5-9-14)12-21-23-19-22-16-10-6-7-11-17(16)25(19)2/h3-12H,1-2H3,(H,22,23)/b21-12+
chemicalCompound:standardIn...	UNMJCNZWCWDKOU-CIAFOILYSA-N
chemicalCompound:canonicalS...	Cc1nn(c(Cl)c1\C=N\Nc2nc3ccccc3n2C)c4ccccc4
chemicalCompound:molecularF...	C19H17ClN6
chemicalCompound:moleculeId	1292445
chemicalCompound:mwFreebase	364.831
chemicalCompound:alogp	4.679
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	60.03
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.916
chemicalCompound:acdLogP	3.963
chemicalCompound:acdLogD	3.936
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	364.831
chemicalCompound:acdMostBpk...	6.212
chemicalCompound:chemblId	CHEMBL1971154
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1392445
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:3661732, activity:3853074, activity:3885429, activity:3961383, activity:4065436, activity:4101423, activity:4108587, activity:4269915, activity:4398006, activity:4453559, activity:4717828, activity:4725053, activity:4981263, activity:4999942, activity:5026318, activity:5503414, activity:5711136, activity:5884537, activity:6479842, activity:6761956, activity:6960754, activity:7051253, activity:7070389, activity:7125758, activity:7259976, activity:7371782, activity:7468338, activity:10581759, activity:10655729