162519

Source:http://linkedlifedata.com/resource/chembl/compound/162519

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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/C14H16N8O5/c15-10-7-12(20-14(19-10)22-2-5(1-18-22)11(16)26)21(4-17-7)13-9(25)8(24)6(3-23)27-13/h1-2,4,6,8-9,13,23-25H,3H2,(H2,16,26)(H2,15,19,20)/t6-,8-,9-,13-/m1/s1
chemicalCompound:standardIn...	NQRSQXXWXGXYDU-HTVVRFAVSA-N
chemicalCompound:canonicalS...	NC(=O)c1cnn(c1)c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2
chemicalCompound:molecularF...	C14 H16 N8 O5
chemicalCompound:moleculeId	162519
chemicalCompound:mwFreebase	376.327
chemicalCompound:alogp	-2.131
chemicalCompound:hba	10
chemicalCompound:hbd	5
chemicalCompound:psa	200.45
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.072
chemicalCompound:acdLogP	-1.275
chemicalCompound:acdLogD	-1.275
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	376.327
chemicalCompound:acdMostBpk...	1.451
chemicalCompound:chemblId	CHEMBL101383
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:262519
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:1239927, activity:1239928