643045

Source:http://linkedlifedata.com/resource/chembl/compound/643045

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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/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)
chemicalCompound:standardIn...	HLKXYZVTANABHZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)NC(CC(=O)O)C(=O)O
chemicalCompound:molecularF...	C5H8N2O5
chemicalCompound:moleculeId	643045
chemicalCompound:mwFreebase	176.127
chemicalCompound:alogp	-1.49
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	129.72
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.649
chemicalCompound:acdLogP	-0.663
chemicalCompound:acdLogD	-5.402
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	176.127
chemicalCompound:chemblId	CHEMBL1161506
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:743045
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:210200, activity:8234447, activity:8262771, activity:8312452, activity:8331961, activity:8371714, activity:8413055, activity:8442150, activity:8521895, activity:8612054, activity:8618459, activity:8699404, activity:8785637, activity:8788118, activity:8815979, activity:8818096, activity:8869867, activity:8916642, activity:8960249, activity:8984302, activity:9030046, activity:9114502, activity:9121164, activity:9164822, activity:9201546, activity:9230264, activity:9303007, activity:9310683, activity:9383906, activity:9456281, activity:9467493, activity:9554668, activity:9640798, activity:9723129, activity:9724886, activity:9808694, activity:9875899, activity:9904911, activity:9938611, activity:9976523, activity:9989279, activity:10119065, activity:10187860, activity:10192438, activity:10230295, activity:10269536, activity:10302611, activity:10381308, activity:10436174, activity:10454971, activity:10506954, activity:10539747, activity:10615263, activity:10638685, activity:10721875, activity:10737870