89405

Source:http://linkedlifedata.com/resource/chembl/compound/89405

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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/C10H19N3O10P2/c11-10-12-8(22-3-1-20-6-24(14,15)16)5-9(13-10)23-4-2-21-7-25(17,18)19/h5H,1-4,6-7H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)
chemicalCompound:standardIn...	WDUNNCVIFDTFOC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc(OCCOCP(=O)(O)O)cc(OCCOCP(=O)(O)O)n1
chemicalCompound:molecularF...	C10H19N3O10P2
chemicalCompound:moleculeId	89405
chemicalCompound:mwFreebase	403.219
chemicalCompound:alogp	-0.955
chemicalCompound:hba	13
chemicalCompound:hbd	5
chemicalCompound:psa	223.39
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.56
chemicalCompound:acdLogP	-1.351
chemicalCompound:acdLogD	-6.743
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	403.219
chemicalCompound:acdMostBpk...	2.948
chemicalCompound:chemblId	CHEMBL56641
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:189405
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:350376, activity:350377, activity:350378, activity:350379, activity:350380, activity:350381, activity:350382, activity:350383, activity:350384, activity:350385, activity:350386, activity:350387, activity:350388, activity:350389, activity:2601594, activity:2601756, activity:2601757, activity:2601758, activity:2601759, activity:2601760