182358

Source:http://linkedlifedata.com/resource/chembl/compound/182358

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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/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)
chemicalCompound:standardIn...	PIXJURSCCVBKRF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)c1onc(O)c1CC(N)C(=O)O
chemicalCompound:molecularF...	C10 H16 N2 O4
chemicalCompound:moleculeId	182358
chemicalCompound:mwFreebase	228.245
chemicalCompound:alogp	-1.162
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	109.58
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.002
chemicalCompound:acdLogP	0.739
chemicalCompound:acdLogD	-1.918
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	228.245
chemicalCompound:acdMostBpk...	9.055
chemicalCompound:chemblId	CHEMBL113180
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:282358
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:65502, activity:65503, activity:65504, activity:65505, activity:65506, activity:249380, activity:249381, activity:249382, activity:249383, activity:1008027, activity:1008028, activity:1008029, activity:1258645, activity:1258646, activity:1258647, activity:1258648, activity:1258649, activity:3491070, activity:3988939, activity:4069458, activity:4746011, activity:4925958, activity:5755731, activity:5872665, activity:6501814, activity:6782829