116684

Source:http://linkedlifedata.com/resource/chembl/compound/116684

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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/C10H15N3O5/c1-4-2-13(10(17)12-8(4)11)9-7(16)6(15)5(3-14)18-9/h2,5-7,9,14-16H,3H2,1H3,(H2,11,12,17)/t5-,6-,7-,9-/m1/s1
chemicalCompound:standardIn...	ZAYHVCMSTBRABG-JXOAFFINSA-N
chemicalCompound:canonicalS...	CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N=C1N
chemicalCompound:molecularF...	C10 H15 N3 O5
chemicalCompound:moleculeId	116684
chemicalCompound:mwFreebase	257.243
chemicalCompound:alogp	-1.95
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	128.61
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.476
chemicalCompound:acdLogP	-1.393
chemicalCompound:acdLogD	-1.393
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	257.243
chemicalCompound:acdMostBpk...	4.581
chemicalCompound:chemblId	CHEMBL72086
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:216684
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:20607
chemicalCompound:activity	activity:128471, activity:882324, activity:882325