1293136

Source:http://linkedlifedata.com/resource/chembl/compound/1293136

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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/C12H13N7O/c13-12-16-17-18-19(12)9-11(20)15-14-8-4-7-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,20)(H2,13,16,18)/b7-4+,14-8+
chemicalCompound:standardIn...	BIKOTJXHBOGACJ-CUJDEGIUSA-N
chemicalCompound:canonicalS...	Nc1nnnn1CC(=O)N\N=C\C=C\c2ccccc2
chemicalCompound:molecularF...	C12H13N7O
chemicalCompound:moleculeId	1293136
chemicalCompound:mwFreebase	271.278
chemicalCompound:alogp	0
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	111.08
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.203
chemicalCompound:acdLogP	0.787
chemicalCompound:acdLogD	0.787
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	271.278
chemicalCompound:acdMostBpk...	1.352
chemicalCompound:chemblId	CHEMBL1971845
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1393136
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:4330215, activity:5581701, activity:6913375, activity:10590267