261605

Source:http://linkedlifedata.com/resource/chembl/compound/261605

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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/C14H18FN3O2/c1-3-8-20-14(19)17-13-16-12(9-18(13)2)10-6-4-5-7-11(10)15/h4-7,12H,3,8-9H2,1-2H3,(H,16,17,19)
chemicalCompound:standardIn...	KEPYQCKENXFRNK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCOC(=O)NC1=NC(CN1C)c2ccccc2F
chemicalCompound:molecularF...	C14 H18 F N3 O2
chemicalCompound:moleculeId	261605
chemicalCompound:mwFreebase	279.31
chemicalCompound:alogp	2.772
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	53.93
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.857
chemicalCompound:acdLogP	2.501
chemicalCompound:acdLogD	2.082
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	279.31
chemicalCompound:acdMostBpk...	7.62
chemicalCompound:chemblId	CHEMBL158069
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:361605
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:804327, activity:804328, activity:804329, activity:804330