89286

Source:http://linkedlifedata.com/resource/chembl/compound/89286

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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/C7H13N4O5P/c8-5-3-6(11-7(9)10-5)16-2-1-15-4-17(12,13)14/h3H,1-2,4H2,(H2,12,13,14)(H4,8,9,10,11)
chemicalCompound:standardIn...	GHXCAFKFSYKTJZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1cc(OCCOCP(=O)(O)O)nc(N)n1
chemicalCompound:molecularF...	C7H13N4O5P
chemicalCompound:moleculeId	89286
chemicalCompound:mwFreebase	264.176
chemicalCompound:alogp	-0.773
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	163.62
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.582
chemicalCompound:acdLogP	-0.894
chemicalCompound:acdLogD	-4.815
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	264.176
chemicalCompound:acdMostBpk...	5.13
chemicalCompound:chemblId	CHEMBL298845
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:189286
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:363022, activity:363023, activity:363024, activity:363025, activity:363026, activity:363027, activity:363028, activity:363029, activity:363030, activity:363031, activity:363032, activity:363033, activity:363034, activity:363035, activity:363036, activity:363037, activity:363038, activity:363039, activity:938532, activity:938533, activity:938534, activity:938535, activity:938536, activity:938537, activity:938538, activity:938539, activity:938540, activity:938541, activity:938542, activity:2126770, activity:2126774, activity:2126779, activity:2126785, activity:2126790, activity:2126795, activity:2126800, activity:2126805, activity:2126809, activity:2126815, activity:2126816, activity:2126822, activity:2126828, activity:2126834, activity:2126838, activity:2126844, activity:2126849, activity:2126855, activity:2126859, activity:2126860, activity:2126868, activity:2126874, activity:2126879, activity:2126884, activity:2126888, activity:2126894, activity:2126899, activity:2128365, activity:2128377, activity:2128389, activity:2128401, activity:2128413, activity:2128425, activity:2128437, activity:2128449, activity:2128461, activity:2128473