1306133

Source:http://linkedlifedata.com/resource/chembl/compound/1306133

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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/C25H29FN6O2/c1-16(2)13-34-23-22-31-20(17-5-7-18(26)8-6-17)21(32(22)12-11-27-23)19-9-10-28-24(30-19)29-14-25(3,4)15-33/h5-12,16,33H,13-15H2,1-4H3,(H,28,29,30)
chemicalCompound:standardIn...	DDDPTRGZLJPPQR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)COc1nccn2c(c3ccnc(NCC(C)(C)CO)n3)c(nc12)c4ccc(F)cc4
chemicalCompound:molecularF...	C25H29FN6O2
chemicalCompound:moleculeId	1306133
chemicalCompound:mwFreebase	464.535
chemicalCompound:alogp	4.588
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	97.46
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.661
chemicalCompound:acdLogD	3.661
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	464.535
chemicalCompound:acdMostBpk...	2.315
chemicalCompound:chemblId	CHEMBL1984842
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1406133
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:9506968, activity:9507018, activity:9507517, activity:9507808, activity:9511350, activity:9511858, activity:9512090, activity:9512305, activity:9515178, activity:9519835, activity:9524537, activity:9527727, activity:9528268, activity:9532010, activity:9532259, activity:9537207, activity:9540782, activity:9541104, activity:9548326, activity:9548503, activity:9549647, activity:9557032, activity:9560525, activity:9565011, activity:9565891, activity:9569297, activity:9572223, activity:9572577, activity:9572769, activity:9573704, activity:9573916, activity:9574391, activity:9575656, activity:9576942, activity:9578788, activity:9579133, activity:9579707, activity:9580344, activity:9580967, activity:9582431, activity:9584245, activity:9584835, activity:9585181, activity:9585963, activity:9586972, activity:9587222, activity:9588138, activity:9588844, activity:9589383, activity:9590222, activity:9591249, activity:9592050, activity:9594309, activity:9595350, activity:9596635, activity:9596905, activity:9599093, activity:9602056, activity:9603187, activity:9603555, activity:9603747, activity:9604333, activity:9604567, activity:9605184, activity:9605399, activity:9609536, activity:9609810