924880

Source:http://linkedlifedata.com/resource/chembl/compound/924880

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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/C6H7N3O3/c10-3-1-4(7-11)6-5(2-3)8-12-9-6/h3,10-11H,1-2H2
chemicalCompound:standardIn...	PABXNIVMTDYVDL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	ON=C1CC(O)Cc2nonc12
chemicalCompound:molecularF...	C6H7N3O3
chemicalCompound:moleculeId	924880
chemicalCompound:mwFreebase	169.138
chemicalCompound:alogp	-0.309
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	91.74
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.664
chemicalCompound:acdLogP	0.459
chemicalCompound:acdLogD	0.456
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	169.138
chemicalCompound:chemblId	CHEMBL1500996
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1024880
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:3923315, activity:4214612, activity:4581820, activity:4663827, activity:4698703, activity:6954621