759304

Source:http://linkedlifedata.com/resource/chembl/compound/759304

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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/C11H13F3N4O2/c1-6-4-8(17(3)15-6)9(19)18-10(20,11(12,13)14)5-7(2)16-18/h4,20H,5H2,1-3H3
chemicalCompound:standardIn...	ADJAPDPNKMKOBD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=NN(C(=O)c2cc(C)nn2C)C(O)(C1)C(F)(F)F
chemicalCompound:molecularF...	C11H13F3N4O2
chemicalCompound:moleculeId	759304
chemicalCompound:mwFreebase	290.242
chemicalCompound:alogp	1
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	70.72
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.241
chemicalCompound:acdLogP	0.103
chemicalCompound:acdLogD	0.093
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	290.242
chemicalCompound:acdMostBpk...	1.174
chemicalCompound:chemblId	CHEMBL1335420
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:859304
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:3645272, activity:4093725, activity:4778950, activity:5627418, activity:5958420, activity:6837525, activity:7434695