485819

Source:http://linkedlifedata.com/resource/chembl/compound/485819

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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/C13H20N4O3/c14-13(15)16-9-3-1-8(2-4-9)5-17-6-11(19)12(20)10(17)7-18/h1-4,10-12,18-20H,5-7H2,(H4,14,15,16)/t10-,11+,12-/m1/s1
chemicalCompound:standardIn...	ZQFHFKSXRFPQQC-GRYCIOLGSA-N
chemicalCompound:canonicalS...	NC(=N)Nc1ccc(CN2C[C@H](O)[C@H](O)[C@@H]2CO)cc1
chemicalCompound:molecularF...	C13H20N4O3
chemicalCompound:moleculeId	485819
chemicalCompound:mwFreebase	280.323
chemicalCompound:alogp	-0.845
chemicalCompound:hba	5
chemicalCompound:hbd	6
chemicalCompound:psa	125.83
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.436
chemicalCompound:acdLogD	-2.241
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	280.323
chemicalCompound:acdMostBpk...	10.94
chemicalCompound:chemblId	CHEMBL505234
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:585819
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:2223935, activity:3485445, activity:3485539, activity:3485598, activity:3485653, activity:3487574