515736

Source:http://linkedlifedata.com/resource/chembl/compound/515736

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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/C9H12N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1-3,5-8,12-14H,4H2/t5-,6-,7-,8-/m1/s1
chemicalCompound:standardIn...	RPQZTTQVRYEKCR-WCTZXXKLSA-N
chemicalCompound:canonicalS...	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC=NC2=O
chemicalCompound:molecularF...	C9H12N2O5
chemicalCompound:moleculeId	515736
chemicalCompound:mwFreebase	228.202
chemicalCompound:alogp	-1.747
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	102.59
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.476
chemicalCompound:acdLogP	-0.828
chemicalCompound:acdLogD	-0.828
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	228.202
chemicalCompound:acdMostBpk...	1.79
chemicalCompound:chemblId	CHEMBL504567
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:615736
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	ZEBULARINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:46938
chemicalCompound:activity	activity:2383001, activity:2383002, activity:2383030, activity:2711730, activity:2711731, activity:2711732, activity:2711733, activity:2711734, activity:2711735, activity:2711736, activity:2711737, activity:2711738, activity:2711739, activity:2711740, activity:2711741, activity:2711751, activity:2711752, activity:2711753, activity:2711797, activity:2711798, activity:2711799, activity:2711800, activity:2711801, activity:2711802, activity:6381818