878128

Source:http://linkedlifedata.com/resource/chembl/compound/878128

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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/C17H13N5OS2/c1-10(23)11-2-4-13(5-3-11)22-16(20-21-17(22)24)15-8-14(18-19-15)12-6-7-25-9-12/h2-9H,1H3,(H,18,19)(H,21,24)
chemicalCompound:standardIn...	KMMPMLDGIATRGZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)c1ccc(cc1)n2c(S)nnc2c3cc([nH]n3)c4ccsc4
chemicalCompound:molecularF...	C17H13N5OS2
chemicalCompound:moleculeId	878128
chemicalCompound:mwFreebase	367.448
chemicalCompound:alogp	3.887
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	143.5
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.126
chemicalCompound:acdLogP	5.431
chemicalCompound:acdLogD	2.466
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	367.448
chemicalCompound:acdMostBpk...	4.745
chemicalCompound:chemblId	CHEMBL1454244
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:978128
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:3894821, activity:4098856, activity:4162962, activity:4280537, activity:4787201, activity:5388353, activity:5767704, activity:6821440, activity:6841384, activity:7072948, activity:7391525