63944

Source:http://linkedlifedata.com/resource/chembl/compound/63944

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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/C5H9NO2S/c6-5(4(7)8)1-2-9-3-5/h1-3,6H2,(H,7,8)/t5-/m1/s1
chemicalCompound:standardIn...	SAKWWHXZZFRWCN-RXMQYKEDSA-N
chemicalCompound:canonicalS...	N[C@@]1(CCSC1)C(=O)O
chemicalCompound:molecularF...	C5 H9 N O2 S
chemicalCompound:moleculeId	63944
chemicalCompound:mwFreebase	147.195
chemicalCompound:alogp	-3.052
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	88.62
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.11
chemicalCompound:acdLogP	0.989
chemicalCompound:acdLogD	-1.527
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	147.195
chemicalCompound:acdMostBpk...	9.086
chemicalCompound:chemblId	CHEMBL297167
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:163944
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:189325, activity:194038