454572

Source:http://linkedlifedata.com/resource/chembl/compound/454572

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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/C10H12N8O3/c11-8-6-9(14-2-13-8)18(3-15-6)10-5(16-17-12)7(20)4(1-19)21-10/h2-5,7,10,19-20H,1H2,(H2,11,13,14)/t4-,5+,7-,10-/m1/s1
chemicalCompound:standardIn...	IFVJLCHSLGMHEY-GQTRHBFLSA-N
chemicalCompound:canonicalS...	Nc1ncnc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3N=[N+]=[N-]
chemicalCompound:molecularF...	C10H12N8O3
chemicalCompound:moleculeId	454572
chemicalCompound:mwFreebase	292.254
chemicalCompound:alogp	-0.579
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	169.06
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.844
chemicalCompound:acdLogP	1.476
chemicalCompound:acdLogD	1.476
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	292.254
chemicalCompound:acdMostBpk...	3.823
chemicalCompound:chemblId	CHEMBL508216
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:554572
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ARAZIDE
chemicalCompound:activity	activity:2588805, activity:2588851