49558

Source:http://linkedlifedata.com/resource/chembl/compound/49558

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)
chemicalCompound:standardIn...	QFDRTQONISXGJA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C(=O)NC2=C(NC(=O)N2)C1=O
chemicalCompound:molecularF...	C6H6N4O3
chemicalCompound:moleculeId	49558
chemicalCompound:mwFreebase	182.137
chemicalCompound:alogp	-1.558
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	90.54
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.602
chemicalCompound:acdLogP	-0.639
chemicalCompound:acdLogD	-2.616
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	182.137
chemicalCompound:chemblId	CHEMBL793
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:149558
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:804673, activity:804674, activity:804675, activity:1424397, activity:3084678, activity:3084679