193

Source:http://linkedlifedata.com/resource/chembl/compound/193

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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/C12H15NO6S/c1-12(2)8(11(16)17)13-9(15)7(5-3-4-6-14)10(13)20(12,18)19/h3-4,6-8,10H,5H2,1-2H3,(H,16,17)/b4-3+/t7?,8-,10+/m0/s1
chemicalCompound:standardIn...	APLLQHCDOOGSFW-OQAFJANISA-N
chemicalCompound:canonicalS...	CC1(C)[C@@H](N2[C@@H](C(C\C=C\C=O)C2=O)S1(=O)=O)C(=O)O
chemicalCompound:molecularF...	C12 H15 N O6 S
chemicalCompound:moleculeId	193
chemicalCompound:mwFreebase	301.316
chemicalCompound:alogp	-0.119
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	117.2
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.545
chemicalCompound:acdLogP	0.677
chemicalCompound:acdLogD	-3.04
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	301.316
chemicalCompound:chemblId	CHEMBL6286
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100193
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:1133282, activity:1133283, activity:1133284