553805

Source:http://linkedlifedata.com/resource/chembl/compound/553805

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:34435
chemicalCompound:standardIn...	InChI=1S/C9H15O2S.ClH/c1-3-11-9(10)8-5-4-6-12(2)7-8;/h5H,3-4,6-7H2,1-2H3;1H/q+1;/p-1
chemicalCompound:standardIn...	QNTWZRZEROBFEV-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[Cl-].CCOC(=O)C1=CCC[S+](C)C1
chemicalCompound:molecularF...	C9H15ClO2S
chemicalCompound:moleculeId	553805
chemicalCompound:mwFreebase	187.279
chemicalCompound:alogp	1.669
chemicalCompound:hba	0
chemicalCompound:hbd	3
chemicalCompound:psa	29
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:fullMwt	222.732
chemicalCompound:chemblId	CHEMBL541666
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:653805
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:577619, activity:577620, activity:577621, activity:577622, activity:577623, activity:577624, activity:577625, activity:577626