883871

Source:http://linkedlifedata.com/resource/chembl/compound/883871

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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/C13H12O3S/c1-9-2-4-10(5-3-9)8-16-11-6-7-17-12(11)13(14)15/h2-7H,8H2,1H3,(H,14,15)
chemicalCompound:standardIn...	MYVLJSQSMBUIJV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(COc2ccsc2C(=O)O)cc1
chemicalCompound:molecularF...	C13H12O3S
chemicalCompound:moleculeId	883871
chemicalCompound:mwFreebase	248.298
chemicalCompound:alogp	3.466
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	74.77
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.61
chemicalCompound:acdLogP	3.06
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	248.298
chemicalCompound:chemblId	CHEMBL1459987
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:983871
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:3809567, activity:6507147, activity:6956681, activity:7393335