161186

Source:http://linkedlifedata.com/resource/chembl/compound/161186

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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/C14H12O4S/c15-11-8-12(19-7-3-6-13(16)17)14(18)10-5-2-1-4-9(10)11/h1-2,4-5,8H,3,6-7H2,(H,16,17)
chemicalCompound:standardIn...	BEFRYHVAAGJUCX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)CCCSC1=CC(=O)c2ccccc2C1=O
chemicalCompound:molecularF...	C14 H12 O4 S
chemicalCompound:moleculeId	161186
chemicalCompound:mwFreebase	276.308
chemicalCompound:alogp	2.054
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	96.74
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.623
chemicalCompound:acdLogP	2.269
chemicalCompound:acdLogD	-0.465
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	276.308
chemicalCompound:chemblId	CHEMBL98758
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:261186
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:437697, activity:437698, activity:437699, activity:437700, activity:437701, activity:437702, activity:437703, activity:437704, activity:437705, activity:437706, activity:437707, activity:437708, activity:437709, activity:437710, activity:437711