453649

Source:http://linkedlifedata.com/resource/chembl/compound/453649

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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/C14H17N3O9/c1-6(18)23-5-9-11(24-7(2)19)12(25-8(3)20)13(26-9)17-14(22)16-10(21)4-15-17/h4,9,11-13H,5H2,1-3H3,(H,16,21,22)/t9-,11-,12-,13-/m1/s1
chemicalCompound:standardIn...	QQOBRRFOVWGIMD-OJAKKHQRSA-N
chemicalCompound:canonicalS...	CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H]1OC(=O)C)N2N=CC(=O)NC2=O
chemicalCompound:molecularF...	C14H17N3O9
chemicalCompound:moleculeId	453649
chemicalCompound:mwFreebase	371.299
chemicalCompound:alogp	-1.295
chemicalCompound:hba	10
chemicalCompound:hbd	1
chemicalCompound:psa	149.89
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.652
chemicalCompound:acdLogP	-0.357
chemicalCompound:acdLogD	-0.548
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	371.299
chemicalCompound:chemblId	CHEMBL515914
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:553649
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	AZARIBINE
chemicalCompound:activity	activity:2588886, activity:2588903, activity:3652368, activity:3829315, activity:3880379, activity:4019903, activity:4126784, activity:4520195, activity:4677301, activity:4753440, activity:4923943, activity:5328755, activity:5489031, activity:5947012, activity:7020965, activity:7328283, activity:7539239, activity:7598937, activity:7598938, activity:7598939, activity:7598940, activity:7598941, activity:7598942, activity:7598943, activity:7598944, activity:7598945, activity:7598946, activity:7598947, activity:7598948, activity:7598949, activity:7598950, activity:7598951, activity:7598952, activity:7598953, activity:7598954, activity:7598955, activity:7598956, activity:7598957, activity:7598958, activity:7598959, activity:7598960, activity:7598961, activity:7598962, activity:7598963, activity:7598964, activity:7598965, activity:7598966, activity:7598967, activity:7598968, activity:7598969, activity:7598970, activity:7598971, activity:7598972, activity:7598973, activity:7598974, activity:7598975, activity:7598976, activity:7598977, activity:7598978, activity:7598979, activity:7598980, activity:7598981, activity:7598982, activity:7598983, activity:7598984, activity:7598985