697891

Source:http://linkedlifedata.com/resource/chembl/compound/697891

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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/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
chemicalCompound:standardIn...	WHMDPDGBKYUEMW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Sc1ccccn1
chemicalCompound:molecularF...	C5H5NS
chemicalCompound:moleculeId	697891
chemicalCompound:mwFreebase	111.165
chemicalCompound:alogp	1.578
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	51.69
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.222
chemicalCompound:acdLogP	0.985
chemicalCompound:acdLogD	-1.274
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	111.165
chemicalCompound:acdMostBpk...	9.596
chemicalCompound:chemblId	CHEMBL1235541
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:797891
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	2-MERCAPTOPYRIDINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:45223
chemicalCompound:activity	activity:5297554, activity:5297600, activity:5297646, activity:5297661