21747

Source:http://linkedlifedata.com/resource/chembl/compound/21747

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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/C13H19N5O/c1-8(2)7-18-11-10(16(4)9(3)15-11)12(19)17-6-5-14-13(17)18/h8H,5-7H2,1-4H3
chemicalCompound:standardIn...	WEEDDLDAMJSHRS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)CN1C2=NCCN2C(=O)c3c1nc(C)n3C
chemicalCompound:molecularF...	C13 H19 N5 O
chemicalCompound:moleculeId	21747
chemicalCompound:mwFreebase	261.323
chemicalCompound:alogp	1.431
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	53.73
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.207
chemicalCompound:acdLogD	0.207
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	261.323
chemicalCompound:acdMostBpk...	3.556
chemicalCompound:chemblId	CHEMBL19052
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:121747
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:48873