53754

Source:http://linkedlifedata.com/resource/chembl/compound/53754

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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/C11H8N4O2/c16-10-7-9(14-11(17)15-10)13-8(12-7)6-4-2-1-3-5-6/h1-5H,(H3,12,13,14,15,16,17)
chemicalCompound:standardIn...	ACCCXSZCOGNLFL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C1NC(=O)c2[nH]c(nc2N1)c3ccccc3
chemicalCompound:molecularF...	C11 H8 N4 O2
chemicalCompound:moleculeId	53754
chemicalCompound:mwFreebase	228.207
chemicalCompound:alogp	1.207
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	86.88
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.41
chemicalCompound:acdLogP	1.009
chemicalCompound:acdLogD	0.87
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	228.207
chemicalCompound:acdMostBpk...	0.507
chemicalCompound:chemblId	CHEMBL285191
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:153754
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:194297, activity:194298, activity:809177, activity:809178, activity:809179, activity:809180, activity:809181, activity:809182, activity:809183