1274173

Source:http://linkedlifedata.com/resource/chembl/compound/1274173

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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/C13H15N3O2S/c1-7-4-5-9(6-8(7)2)14-10-11(17)15-13(19-3)16-12(10)18/h4-6,14H,1-3H3,(H2,15,16,17,18)
chemicalCompound:standardIn...	KNEZZDIDRSHDGR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CSc1nc(O)c(Nc2ccc(C)c(C)c2)c(O)n1
chemicalCompound:molecularF...	C13H15N3O2S
chemicalCompound:moleculeId	1274173
chemicalCompound:mwFreebase	277.342
chemicalCompound:alogp	4.23
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	103.57
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.325
chemicalCompound:acdLogP	2.297
chemicalCompound:acdLogD	-1.044
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	277.342
chemicalCompound:acdMostBpk...	9.195
chemicalCompound:chemblId	CHEMBL1939330
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1374173
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:7998209