261956

Source:http://linkedlifedata.com/resource/chembl/compound/261956

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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/C11H12FN3O2/c1-17-11(16)15-10-13-6-9(14-10)7-4-2-3-5-8(7)12/h2-5,9H,6H2,1H3,(H2,13,14,15,16)
chemicalCompound:standardIn...	LKQNTDMZVXADOZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)NC1=NC(CN1)c2ccccc2F
chemicalCompound:molecularF...	C11 H12 F N3 O2
chemicalCompound:moleculeId	261956
chemicalCompound:mwFreebase	237.23
chemicalCompound:alogp	1.693
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	62.72
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.904
chemicalCompound:acdLogP	1.435
chemicalCompound:acdLogD	1.31
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	237.23
chemicalCompound:acdMostBpk...	6.607
chemicalCompound:chemblId	CHEMBL157675
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:361956
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:817135, activity:817136, activity:817137, activity:817138, activity:817139, activity:817140, activity:817141, activity:817142