831837

Source:http://linkedlifedata.com/resource/chembl/compound/831837

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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/C13H17N5O2/c1-2-14-13-16-6-10-12(17-13)18(11(19)7-15-10)8-9-4-3-5-20-9/h6-7,9H,2-5,8H2,1H3,(H,14,16,17)/t9-/m1/s1
chemicalCompound:standardIn...	HIOCNAKHYXJDED-SECBINFHSA-N
chemicalCompound:canonicalS...	CCNc1ncc2N=CC(=O)N(C[C@H]3CCCO3)c2n1
chemicalCompound:molecularF...	C13H17N5O2
chemicalCompound:moleculeId	831837
chemicalCompound:mwFreebase	275.306
chemicalCompound:alogp	0.286
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	79.71
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.581
chemicalCompound:acdLogD	0.578
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	275.306
chemicalCompound:acdMostBpk...	5.256
chemicalCompound:chemblId	CHEMBL1407953
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:931837
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:3713973, activity:3763784, activity:3801357, activity:4128949, activity:4186187, activity:4388092, activity:4520771, activity:4813177, activity:4837638, activity:4839856, activity:4861072, activity:5343992, activity:5515085, activity:6001842, activity:6018946, activity:6022243, activity:6051455, activity:6059042