1089482

Source:http://linkedlifedata.com/resource/chembl/compound/1089482

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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/C10H12O4S/c1-7-5-8(14-6-10(11)12)3-4-9(7)15(2)13/h3-5H,6H2,1-2H3,(H,11,12)
chemicalCompound:standardIn...	GFZRDXSZLLWNGS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(OCC(=O)O)ccc1S(=O)C
chemicalCompound:molecularF...	C10H12O4S
chemicalCompound:moleculeId	1089482
chemicalCompound:mwFreebase	228.265
chemicalCompound:alogp	1.211
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	82.81
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.026
chemicalCompound:acdLogP	-0.37
chemicalCompound:acdLogD	-4.028
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	228.265
chemicalCompound:chemblId	CHEMBL1708751
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1189482
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:5412074, activity:5508469, activity:5562029, activity:5568264, activity:5569119, activity:5652031, activity:5859970, activity:6566190