59545

Source:http://linkedlifedata.com/resource/chembl/compound/59545

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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/C12H14F2N2/c1-15(2)5-6-16-4-3-9-7-10(13)11(14)8-12(9)16/h3-4,7-8H,5-6H2,1-2H3
chemicalCompound:standardIn...	WRKQSUFFRMEWEJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CCn1ccc2cc(F)c(F)cc12
chemicalCompound:molecularF...	C12 H14 F2 N2
chemicalCompound:moleculeId	59545
chemicalCompound:mwFreebase	224.25
chemicalCompound:alogp	2.879
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	8.17
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.533
chemicalCompound:acdLogD	1.744
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	224.25
chemicalCompound:acdMostBpk...	9.203
chemicalCompound:chemblId	CHEMBL40816
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:159545
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:948181, activity:948182, activity:948183, activity:948184