454005

Source:http://linkedlifedata.com/resource/chembl/compound/454005

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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/C11H14N4O5/c12-11-13-8-4(9(19)14-11)1-2-15(8)10-7(18)6(17)5(3-16)20-10/h1-2,5-7,10,16-18H,3H2,(H3,12,13,14,19)/t5-,6-,7-,10-/m1/s1
chemicalCompound:standardIn...	JRYMOPZHXMVHTA-DAGMQNCNSA-N
chemicalCompound:canonicalS...	NC1=Nc2c(ccn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(=O)N1
chemicalCompound:molecularF...	C11H14N4O5
chemicalCompound:moleculeId	454005
chemicalCompound:mwFreebase	282.253
chemicalCompound:alogp	-1.602
chemicalCompound:hba	7
chemicalCompound:hbd	5
chemicalCompound:psa	142.32
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.29
chemicalCompound:acdLogP	-2.252
chemicalCompound:acdLogD	-2.252
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	282.253
chemicalCompound:acdMostBpk...	4.767
chemicalCompound:chemblId	CHEMBL519587
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:554005
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:2588837, activity:2588883