767507

Source:http://linkedlifedata.com/resource/chembl/compound/767507

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C14H12F3NO2/c15-14(16,17)10-3-1-4-11(9-10)18-7-6-12(19)13-5-2-8-20-13/h1-5,8-9,18H,6-7H2
chemicalCompound:standardIn...	KESQRCPWXWZUHL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	FC(F)(F)c1cccc(NCCC(=O)c2occc2)c1
chemicalCompound:molecularF...	C14H12F3NO2
chemicalCompound:moleculeId	767507
chemicalCompound:mwFreebase	283.246
chemicalCompound:alogp	3.48
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	42.24
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.443
chemicalCompound:acdLogD	2.443
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	283.246
chemicalCompound:acdMostBpk...	3.309
chemicalCompound:chemblId	CHEMBL1343623
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:867507
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:3764114, activity:4138776, activity:4217193, activity:4315880, activity:4419351, activity:4423662, activity:4482422, activity:5598078, activity:6637821, activity:6813381, activity:6913901, activity:6972346, activity:7278554