287266

Source:http://linkedlifedata.com/resource/chembl/compound/287266

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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/C15H14ClN5/c16-10-3-1-9(2-4-10)8-19-11-5-6-13-12(7-11)14(17)21-15(18)20-13/h1-7,19H,8H2,(H4,17,18,20,21)
chemicalCompound:standardIn...	OBAIAACZWPTSRU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc(N)c2cc(NCc3ccc(Cl)cc3)ccc2n1
chemicalCompound:molecularF...	C15 H14 Cl N5
chemicalCompound:moleculeId	287266
chemicalCompound:mwFreebase	299.758
chemicalCompound:alogp	3.011
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	89.85
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.201
chemicalCompound:acdLogD	1.176
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	299.758
chemicalCompound:acdMostBpk...	7.93
chemicalCompound:chemblId	CHEMBL173605
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:387266
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:365036