569494

Source:http://linkedlifedata.com/resource/chembl/compound/569494

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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/C17H17N5O4/c1-25-12-4-2-11(3-5-12)13-8-22-16(24)14-15(20-17(22)19-13)21(9-18-14)10-26-7-6-23/h2-5,8-9,23H,6-7,10H2,1H3,(H,19,20)
chemicalCompound:standardIn...	XWCDMALRJYUKBH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)C2=CN3C(=Nc4c(ncn4COCCO)C3=O)N2
chemicalCompound:molecularF...	C17H17N5O4
chemicalCompound:moleculeId	569494
chemicalCompound:mwFreebase	355.348
chemicalCompound:alogp	-0.058
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	101.21
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	0.45
chemicalCompound:acdLogD	0.45
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	355.348
chemicalCompound:acdMostBpk...	2.476
chemicalCompound:chemblId	CHEMBL575182
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:669494
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:2917901, activity:2917902, activity:2917903, activity:2917904