1288475

Source:http://linkedlifedata.com/resource/chembl/compound/1288475

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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/C14H14F3N3O2/c15-14(16,17)12(21)9-5-3-7-11(9)19-20-13(22)8-4-1-2-6-10(8)18/h1-2,4,6,19H,3,5,7,18H2,(H,20,22)
chemicalCompound:standardIn...	QLOQYEFZVNOYEP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ccccc1C(=O)NNC2=C(CCC2)C(=O)C(F)(F)F
chemicalCompound:molecularF...	C14H14F3N3O2
chemicalCompound:moleculeId	1288475
chemicalCompound:mwFreebase	313.275
chemicalCompound:alogp	1.73
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	84.22
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.764
chemicalCompound:acdLogP	2.029
chemicalCompound:acdLogD	2.029
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	313.275
chemicalCompound:acdMostBpk...	1.088
chemicalCompound:chemblId	CHEMBL1967184
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1388475
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:3710245, activity:3804404, activity:4010932, activity:4082739, activity:4281472, activity:4299642, activity:4765526, activity:4982666, activity:5029046, activity:5402967, activity:5529608, activity:5571173, activity:5578255, activity:5650077, activity:5854304, activity:5869600, activity:5959273, activity:6432655, activity:6589057, activity:6995943, activity:7043097, activity:7060039, activity:7169268, activity:10539080