568906

Source:http://linkedlifedata.com/resource/chembl/compound/568906

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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/C18H21F3N4/c1-24(2)12-7-13-25(23-22-16-9-4-3-5-10-16)17-11-6-8-15(14-17)18(19,20)21/h3-6,8-11,14H,7,12-13H2,1-2H3/b23-22+
chemicalCompound:standardIn...	LWSFGZMGUMXTFB-GHVJWSGMSA-N
chemicalCompound:canonicalS...	CN(C)CCCN(N=Nc1ccccc1)c2cccc(c2)C(F)(F)F
chemicalCompound:molecularF...	C18H21F3N4
chemicalCompound:moleculeId	568906
chemicalCompound:mwFreebase	350.381
chemicalCompound:alogp	4.933
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	31.2
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.662
chemicalCompound:acdLogD	2.55
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	350.381
chemicalCompound:acdMostBpk...	9.372
chemicalCompound:chemblId	CHEMBL583512
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668906
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:2913477, activity:2913523, activity:2913581, activity:2913639, activity:2913697, activity:2913755, activity:2913813, activity:2914243, activity:2914276, activity:2914334, activity:2914392, activity:2914474, activity:2914494, activity:2914515, activity:2914536