694194

Source:http://linkedlifedata.com/resource/chembl/compound/694194

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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/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3/t3-/m0/s1
chemicalCompound:standardIn...	MCYHPZGUONZRGO-VKHMYHEASA-N
chemicalCompound:canonicalS...	COC(=O)[C@@H](N)CS
chemicalCompound:molecularF...	C4H9NO2S
chemicalCompound:moleculeId	694194
chemicalCompound:mwFreebase	135.185
chemicalCompound:alogp	-0.374
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	91.12
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.348
chemicalCompound:acdLogP	0.245
chemicalCompound:acdLogD	0.201
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	135.185
chemicalCompound:acdMostBpk...	6.209
chemicalCompound:chemblId	CHEMBL1231844
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:794194
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:41531
chemicalCompound:activity	activity:3621736, activity:4070150, activity:4361627, activity:5703682, activity:6443057