253338

Source:http://linkedlifedata.com/resource/chembl/compound/253338

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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/C10H15NO6/c1-3-6-8(14)11(10(15)16-4-2)9(6)17-5-7(12)13/h6,9H,3-5H2,1-2H3,(H,12,13)/t6-,9+/m0/s1
chemicalCompound:standardIn...	OMUXCKSOEVJWBW-IMTBSYHQSA-N
chemicalCompound:canonicalS...	CCOC(=O)N1[C@H](OCC(=O)O)[C@@H](CC)C1=O
chemicalCompound:molecularF...	C10 H15 N O6
chemicalCompound:moleculeId	253338
chemicalCompound:mwFreebase	245.229
chemicalCompound:alogp	0.758
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	93.14
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.116
chemicalCompound:acdLogP	-0.225
chemicalCompound:acdLogD	-3.863
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	245.229
chemicalCompound:chemblId	CHEMBL358891
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:353338
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:1205172, activity:1205173, activity:1205174, activity:1205175, activity:1205176, activity:1205177, activity:1205178