102970

Source:http://linkedlifedata.com/resource/chembl/compound/102970

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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/C8H17N5O5/c9-7(10)13-8(11)12-1-2-3(14)4(15)5(16)6(17)18-2/h2-6,14-17H,1H2,(H6,9,10,11,12,13)/t2?,3?,4?,5-,6?/m1/s1
chemicalCompound:standardIn...	LWXCWGRSUNDHRX-ZZRYAAOLSA-N
chemicalCompound:canonicalS...	NC(=N)\N=C(/N)\NCC1OC(O)[C@H](O)C(O)C1O
chemicalCompound:molecularF...	C8 H17 N5 O5
chemicalCompound:moleculeId	102970
chemicalCompound:mwFreebase	263.251
chemicalCompound:alogp	-3.103
chemicalCompound:hba	9
chemicalCompound:hbd	8
chemicalCompound:psa	190.43
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.115
chemicalCompound:acdLogP	-2.98
chemicalCompound:acdLogD	-4.979
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	263.251
chemicalCompound:acdMostBpk...	12.517
chemicalCompound:chemblId	CHEMBL302117
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:202970
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:109514, activity:109515, activity:109516, activity:109517