892468

Source:http://linkedlifedata.com/resource/chembl/compound/892468

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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/C14H10ClN5S/c15-11-6-4-10(5-7-11)9-17-20-13(18-19-14(20)21)12-3-1-2-8-16-12/h1-9H,(H,19,21)
chemicalCompound:standardIn...	PSHUVNWGJLCFBD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Sc1nnc(c2ccccn2)n1N=Cc3ccc(Cl)cc3
chemicalCompound:molecularF...	C14H10ClN5S
chemicalCompound:moleculeId	892468
chemicalCompound:mwFreebase	315.781
chemicalCompound:alogp	3.814
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	94.76
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.594
chemicalCompound:acdLogD	1.937
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	315.781
chemicalCompound:acdMostBpk...	5.91
chemicalCompound:chemblId	CHEMBL1468584
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:992468
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:4598831, activity:4614232, activity:4947205, activity:4981385, activity:5030213, activity:5370281, activity:5560565, activity:5638374, activity:5705501, activity:5816519, activity:5891344, activity:6935879, activity:7061545, activity:7111120