100939

Source:http://linkedlifedata.com/resource/chembl/compound/100939

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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/C6H11N4O5P/c7-5-3-8-10(6(11)9-5)1-2-15-4-16(12,13)14/h3H,1-2,4H2,(H2,7,9,11)(H2,12,13,14)
chemicalCompound:standardIn...	BIRHHYRBXSDORH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1=NC(=O)N(CCOCP(=O)(O)O)N=C1
chemicalCompound:molecularF...	C6 H11 N4 O5 P
chemicalCompound:moleculeId	100939
chemicalCompound:mwFreebase	250.149
chemicalCompound:alogp	-1.646
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	147.62
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.668
chemicalCompound:acdLogP	-1.852
chemicalCompound:acdLogD	-5.751
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	250.149
chemicalCompound:acdMostBpk...	0.436
chemicalCompound:chemblId	CHEMBL61896
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:200939
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:525597, activity:525598, activity:525599, activity:525600, activity:525601, activity:525602, activity:525603, activity:525604, activity:525605, activity:525606, activity:525607, activity:525608, activity:525609, activity:525610, activity:525611, activity:525612, activity:525613