100680

Source:http://linkedlifedata.com/resource/chembl/compound/100680

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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/C10H17N6O4P/c1-2-20-21(17,18)6-19-4-3-16-5-13-7-8(11)14-10(12)15-9(7)16/h5H,2-4,6H2,1H3,(H,17,18)(H4,11,12,14,15)
chemicalCompound:standardIn...	LLSGNYUJSJIMGE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOP(=O)(O)COCCn1cnc2c(N)nc(N)nc12
chemicalCompound:molecularF...	C10 H17 N6 O4 P
chemicalCompound:moleculeId	100680
chemicalCompound:mwFreebase	316.254
chemicalCompound:alogp	-0.987
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	161.2
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.556
chemicalCompound:acdLogP	-1.395
chemicalCompound:acdLogD	-4.839
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	316.254
chemicalCompound:acdMostBpk...	5.137
chemicalCompound:chemblId	CHEMBL64241
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:200680
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:537750, activity:537751, activity:537752, activity:537753, activity:537754, activity:537755, activity:537756, activity:537757, activity:537758, activity:537759, activity:537760, activity:537761, activity:537762, activity:537763, activity:537764, activity:537765, activity:537766, activity:537767