580051

Source:http://linkedlifedata.com/resource/chembl/compound/580051

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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/C14H17F3N2O3/c1-9(20)19-12(8-22-2)13(21)18-7-10-3-5-11(6-4-10)14(15,16)17/h3-6,12H,7-8H2,1-2H3,(H,18,21)(H,19,20)/t12-/m1/s1
chemicalCompound:standardIn...	BLWAPWRPBCSDBN-GFCCVEGCSA-N
chemicalCompound:canonicalS...	COC[C@@H](NC(=O)C)C(=O)NCc1ccc(cc1)C(F)(F)F
chemicalCompound:molecularF...	C14H17F3N2O3
chemicalCompound:moleculeId	580051
chemicalCompound:mwFreebase	318.292
chemicalCompound:alogp	0.963
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	67.42
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.585
chemicalCompound:acdLogP	1.583
chemicalCompound:acdLogD	1.583
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	318.292
chemicalCompound:chemblId	CHEMBL577101
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:680051
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:2984176, activity:2984215, activity:2984254, activity:2984293, activity:2985072, activity:2985081, activity:2985126, activity:2985152, activity:2985244