59972

Source:http://linkedlifedata.com/resource/chembl/compound/59972

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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/C9H10O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-6H,1-2H3
chemicalCompound:standardIn...	KAVZYDHKJNABPC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)c1ccc(cc1)S(=O)(=O)C
chemicalCompound:molecularF...	C9 H10 O3 S
chemicalCompound:moleculeId	59972
chemicalCompound:mwFreebase	198.239
chemicalCompound:alogp	1.095
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	59.59
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.653
chemicalCompound:acdLogD	0.653
chemicalCompound:fullMwt	198.239
chemicalCompound:chemblId	CHEMBL41043
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:159972
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:59864, activity:59865