89952

Source:http://linkedlifedata.com/resource/chembl/compound/89952

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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/C10H17N4O5P/c11-10-13-8(12-7-1-2-7)5-9(14-10)19-4-3-18-6-20(15,16)17/h5,7H,1-4,6H2,(H2,15,16,17)(H3,11,12,13,14)
chemicalCompound:standardIn...	YFMQBIZYIZDNGD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc(NC2CC2)cc(OCCOCP(=O)(O)O)n1
chemicalCompound:molecularF...	C10H17N4O5P
chemicalCompound:moleculeId	89952
chemicalCompound:mwFreebase	304.24
chemicalCompound:alogp	-0.2
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	149.63
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.582
chemicalCompound:acdLogP	0.616
chemicalCompound:acdLogD	-3.294
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	304.24
chemicalCompound:acdMostBpk...	5.286
chemicalCompound:chemblId	CHEMBL59520
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:189952
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:351784, activity:351785, activity:351786, activity:351787, activity:351788, activity:351789, activity:351790, activity:351791, activity:351792, activity:351793, activity:351794, activity:351795, activity:351796, activity:351797, activity:2601599, activity:2601721, activity:2601722, activity:2601723, activity:2601724