311715

Source:http://linkedlifedata.com/resource/chembl/compound/311715

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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/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)
chemicalCompound:standardIn...	HRJWTAWVFDCTGO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c5cnc6ccccn56)c(c1)c23)C(=O)N7CCCCC7
chemicalCompound:molecularF...	C28 H25 F N6 O3
chemicalCompound:moleculeId	311715
chemicalCompound:mwFreebase	512.535
chemicalCompound:alogp	2.707
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	91.94
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.414
chemicalCompound:acdLogP	6.131
chemicalCompound:acdLogD	5.852
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	512.535
chemicalCompound:acdMostBpk...	5.375
chemicalCompound:chemblId	CHEMBL362558
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:411715
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:1462305, activity:1462306, activity:1462307, activity:1462308, activity:1462309, activity:1462310, activity:1462311, activity:1462312, activity:1462313, activity:1462314, activity:1462315, activity:1462316, activity:1462317, activity:1462318, activity:1462423, activity:1462424, activity:1462425, activity:1462426, activity:1462427, activity:1462428, activity:1462429, activity:1462430, activity:2643858, activity:9507434, activity:9520173, activity:9532540, activity:9532763, activity:9535937, activity:9536195, activity:9539834, activity:9544742, activity:9545330, activity:9548218, activity:9557240, activity:9557628, activity:9557770, activity:9560799, activity:9560998, activity:9561359, activity:9565671, activity:9568739, activity:9570258, activity:9572112, activity:9575111, activity:9576124, activity:9577102, activity:9578137, activity:9578327, activity:9579564, activity:9581628, activity:9582664, activity:9583895, activity:9584484, activity:9584856, activity:9586601, activity:9589200, activity:9593456, activity:9594390, activity:9596295, activity:9597625, activity:9597683, activity:9599320, activity:9599890, activity:9600494, activity:9601209, activity:9601857