872616

Source:http://linkedlifedata.com/resource/chembl/compound/872616

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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/C20H19F3N8/c1-11-9-13(3)30(28-11)18-25-17(24-16-8-6-5-7-15(16)20(21,22)23)26-19(27-18)31-14(4)10-12(2)29-31/h5-10H,1-4H3,(H,24,25,26,27)
chemicalCompound:standardIn...	JRIPCFVHGQWMAI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(C)n(n1)c2nc(Nc3ccccc3C(F)(F)F)nc(n2)n4nc(C)cc4C
chemicalCompound:molecularF...	C20H19F3N8
chemicalCompound:moleculeId	872616
chemicalCompound:mwFreebase	428.414
chemicalCompound:alogp	4.673
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	86.34
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.347
chemicalCompound:acdLogD	5.347
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	428.414
chemicalCompound:acdMostBpk...	0.665
chemicalCompound:chemblId	CHEMBL1448732
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:972616
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:3607507, activity:3610065, activity:3629421, activity:3633258, activity:3636812, activity:3757805, activity:3768037, activity:3793145, activity:3804803, activity:3821423, activity:3867452, activity:3895431, activity:3918739, activity:3976366, activity:4085077, activity:4214232, activity:4371780, activity:4394419, activity:4584403, activity:4659128, activity:4725514, activity:4814388, activity:4846136, activity:4912742, activity:4933540, activity:4954232, activity:4998649, activity:5045410, activity:5400459, activity:5511695, activity:5514383, activity:5576658, activity:5801246, activity:5892807, activity:6637429, activity:6843693, activity:7107203, activity:7307338, activity:7354289, activity:7454835, activity:8292021, activity:10310926, activity:10608268