759580

Source:http://linkedlifedata.com/resource/chembl/compound/759580

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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/C9H8ClN3S/c1-6-11-12-9(14)13(6)8-4-2-3-7(10)5-8/h2-5H,1H3,(H,12,14)
chemicalCompound:standardIn...	UBQLDJNFYUHKTK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1nnc(S)n1c2cccc(Cl)c2
chemicalCompound:molecularF...	C9H8ClN3S
chemicalCompound:moleculeId	759580
chemicalCompound:mwFreebase	225.698
chemicalCompound:alogp	2.803
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	69.5
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.02
chemicalCompound:acdLogD	1.759
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	225.698
chemicalCompound:acdMostBpk...	6.858
chemicalCompound:chemblId	CHEMBL1335696
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:859580
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:3894775, activity:4096833, activity:4240645, activity:4280491, activity:4384467, activity:4783210, activity:5366028, activity:5773053, activity:6809969, activity:7445681