468627

Source:http://linkedlifedata.com/resource/chembl/compound/468627

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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/C13H18N4O3/c1-16-10-3-2-8(4-9(10)14-15-16)5-17-6-12(19)13(20)11(17)7-18/h2-4,11-13,18-20H,5-7H2,1H3/t11-,12+,13-/m1/s1
chemicalCompound:standardIn...	QHUJBBNLFXQUGS-FRRDWIJNSA-N
chemicalCompound:canonicalS...	Cn1nnc2cc(CN3C[C@H](O)[C@H](O)[C@H]3CO)ccc12
chemicalCompound:molecularF...	C13H18N4O3
chemicalCompound:moleculeId	468627
chemicalCompound:mwFreebase	278.307
chemicalCompound:alogp	0
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	94.64
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.264
chemicalCompound:acdLogD	-0.342
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	278.307
chemicalCompound:acdMostBpk...	6.417
chemicalCompound:chemblId	CHEMBL521681
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:568627
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:2452911, activity:3485469, activity:3485558, activity:3485622, activity:3487543, activity:3487598