264764

Source:http://linkedlifedata.com/resource/chembl/compound/264764

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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/C9H17NO3S/c1-6(2)10(4-8(11)12)9(13)7(3)5-14/h6-7,14H,4-5H2,1-3H3,(H,11,12)
chemicalCompound:standardIn...	CXBHQULQNOOTII-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)N(CC(=O)O)C(=O)C(C)CS
chemicalCompound:molecularF...	C9 H17 N O3 S
chemicalCompound:moleculeId	264764
chemicalCompound:mwFreebase	219.301
chemicalCompound:alogp	0.797
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	96.41
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.484
chemicalCompound:acdLogP	1.734
chemicalCompound:acdLogD	-1.891
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	219.301
chemicalCompound:chemblId	CHEMBL346495
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:364764
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:686548