1193

Source:http://linkedlifedata.com/resource/chembl/compound/1193

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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/C12H14F3N5/c1-11(2)19-9(16)18-10(17)20(11)8-5-3-4-7(6-8)12(13,14)15/h3-6H,1-2H3,(H4,16,17,18,19)
chemicalCompound:standardIn...	MMFKOLPHNNHIDJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1(C)N=C(N)N=C(N)N1c2cccc(c2)C(F)(F)F
chemicalCompound:molecularF...	C12 H14 F3 N5
chemicalCompound:moleculeId	1193
chemicalCompound:mwFreebase	285.268
chemicalCompound:alogp	1.901
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	80
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.181
chemicalCompound:acdLogD	-0.466
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	285.268
chemicalCompound:acdMostBpk...	9.292
chemicalCompound:chemblId	CHEMBL6948
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101193
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:50947, activity:220132, activity:220133, activity:388009, activity:464161, activity:464162, activity:464163, activity:504359, activity:504630, activity:508366, activity:516994, activity:572630, activity:660495, activity:751068, activity:751069, activity:751070, activity:968441, activity:968442, activity:1116149, activity:1116150, activity:1147236