871009

Source:http://linkedlifedata.com/resource/chembl/compound/871009

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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/C12H14ClN5/c1-7-4-3-5-9(8(7)2)15-12-17-10(6-13)16-11(14)18-12/h3-5H,6H2,1-2H3,(H3,14,15,16,17,18)
chemicalCompound:standardIn...	UXJDIALRLMIANN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(Nc2nc(N)nc(CCl)n2)c1C
chemicalCompound:molecularF...	C12H14ClN5
chemicalCompound:moleculeId	871009
chemicalCompound:mwFreebase	263.726
chemicalCompound:alogp	2.614
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	76.72
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.34
chemicalCompound:acdLogD	2.34
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	263.726
chemicalCompound:acdMostBpk...	3.459
chemicalCompound:chemblId	CHEMBL1447125
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:971009
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:3736734, activity:3802981, activity:3833510, activity:3942593, activity:3986983, activity:4080765, activity:4732068, activity:4754047, activity:4763342, activity:4811456, activity:4817382, activity:4839466, activity:4978468, activity:5406146, activity:5411298, activity:5562861, activity:5563862, activity:5564906, activity:5650501, activity:5655725, activity:5660545, activity:5788991, activity:5797511, activity:5875175, activity:5973858, activity:5980373, activity:5983520, activity:6581300, activity:7033470, activity:7037419, activity:7172957, activity:7312220, activity:7366671, activity:7418002, activity:7443389, activity:7512276