87195

Source:http://linkedlifedata.com/resource/chembl/compound/87195

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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/C11H12N4O/c12-10-8(6-14-11(13)15-10)5-7-1-3-9(16)4-2-7/h1-4,6,16H,5H2,(H4,12,13,14,15)
chemicalCompound:standardIn...	CEFCYXFPPQNRCK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ncc(Cc2ccc(O)cc2)c(N)n1
chemicalCompound:molecularF...	C11 H12 N4 O
chemicalCompound:moleculeId	87195
chemicalCompound:mwFreebase	216.239
chemicalCompound:alogp	1.35
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	98.05
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.824
chemicalCompound:acdLogP	0.841
chemicalCompound:acdLogD	0.654
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	216.239
chemicalCompound:acdMostBpk...	7.132
chemicalCompound:chemblId	CHEMBL56668
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:187195
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:381355, activity:388010, activity:657529, activity:657571, activity:992789, activity:992790, activity:992791