34435

Source:http://linkedlifedata.com/resource/chembl/compound/34435

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C9H15O2S/c1-3-11-9(10)8-5-4-6-12(2)7-8/h5H,3-4,6-7H2,1-2H3/q+1
chemicalCompound:standardIn...	ZVKOIGFJQUFZGA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)C1=CCC[S+](C)C1
chemicalCompound:molecularF...	C9H15O2S
chemicalCompound:moleculeId	34435
chemicalCompound:mwFreebase	187.279
chemicalCompound:alogp	1.669
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	29
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:fullMwt	187.281
chemicalCompound:chemblId	CHEMBL281944
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134435
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No