86051

Source:http://linkedlifedata.com/resource/chembl/compound/86051

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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/C11H14F3NO/c1-15-7-2-8-16-10-5-3-9(4-6-10)11(12,13)14/h3-6,15H,2,7-8H2,1H3
chemicalCompound:standardIn...	HRYAFGPLAPTGQU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNCCCOc1ccc(cc1)C(F)(F)F
chemicalCompound:molecularF...	C11 H14 F3 N O
chemicalCompound:moleculeId	86051
chemicalCompound:mwFreebase	233.23
chemicalCompound:alogp	2.421
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	21.26
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.941
chemicalCompound:acdLogD	0.301
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	233.23
chemicalCompound:acdMostBpk...	10.223
chemicalCompound:chemblId	CHEMBL56675
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:186051
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:1181207, activity:1181208, activity:1181209