431900

Source:http://linkedlifedata.com/resource/chembl/compound/431900

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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/C11H16N6O3/c12-9-6-10(16-11(13)15-9)17(3-14-6)5-1-4(2-18)7(19)8(5)20/h3-5,7-8,18-20H,1-2H2,(H4,12,13,15,16)/t4-,5-,7-,8+/m1/s1
chemicalCompound:standardIn...	ZLJQBJBJBIATTP-APOSLCTFSA-N
chemicalCompound:canonicalS...	Nc1nc(N)c2ncn([C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c2n1
chemicalCompound:molecularF...	C11 H16 N6 O3
chemicalCompound:moleculeId	431900
chemicalCompound:mwFreebase	280.283
chemicalCompound:alogp	-1.894
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	156.33
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.914
chemicalCompound:acdLogP	-2.439
chemicalCompound:acdLogD	-2.445
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	280.283
chemicalCompound:acdMostBpk...	5.291
chemicalCompound:chemblId	CHEMBL261619
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:531900
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:2143334, activity:2143339, activity:2143344, activity:2143359