200

Source:http://linkedlifedata.com/resource/chembl/compound/200

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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/C13H17NO6S/c1-7(15)5-4-6-8-10(16)14-9(12(17)18)13(2,3)21(19,20)11(8)14/h4-5,8-9,11H,6H2,1-3H3,(H,17,18)/b5-4+/t8?,9-,11+/m0/s1
chemicalCompound:standardIn...	MVFOBYCNFIYDLC-RWZNOURBSA-N
chemicalCompound:canonicalS...	CC(=O)\C=C\CC1[C@@H]2N([C@@H](C(=O)O)C(C)(C)S2(=O)=O)C1=O
chemicalCompound:molecularF...	C13 H17 N O6 S
chemicalCompound:moleculeId	200
chemicalCompound:mwFreebase	315.342
chemicalCompound:alogp	-0.04
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	117.2
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.571
chemicalCompound:acdLogP	0.524
chemicalCompound:acdLogD	-3.191
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	315.342
chemicalCompound:chemblId	CHEMBL6301
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100200
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:1117826, activity:1117827, activity:1117828