247302

Source:http://linkedlifedata.com/resource/chembl/compound/247302

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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/C10H8N4O3/c11-5-9-6-13(9)10(15)12-7-1-3-8(4-2-7)14(16)17/h1-4,9H,6H2,(H,12,15)
chemicalCompound:standardIn...	BYLITRSLCIHTGU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1ccc(NC(=O)N2CC2C#N)cc1
chemicalCompound:molecularF...	C10 H8 N4 O3
chemicalCompound:moleculeId	247302
chemicalCompound:mwFreebase	232.196
chemicalCompound:alogp	0.731
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	101.72
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.687
chemicalCompound:acdLogP	0.661
chemicalCompound:acdLogD	0.661
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	232.196
chemicalCompound:chemblId	CHEMBL148612
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:347302
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:996267, activity:996268, activity:996269, activity:996270, activity:996271, activity:996272, activity:996273, activity:996274, activity:996275, activity:996276, activity:996277, activity:996278