452758

Source:http://linkedlifedata.com/resource/chembl/compound/452758

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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/C35H63FO5/c1-3-4-5-6-7-8-9-13-16-19-22-31(37)33-24-25-34(41-33)32(38)23-20-17-14-11-10-12-15-18-21-30(36)27-29-26-28(2)40-35(29)39/h26,28,30-34,37-38H,3-25,27H2,1-2H3/t28-,30+,31+,32+,33+,34+/m0/s1
chemicalCompound:standardIn...	MXRPVXCNKNROCE-YZDQYAEISA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCC[C@@H](F)CC2=C[C@H](C)OC2=O
chemicalCompound:molecularF...	C35H63FO5
chemicalCompound:moleculeId	452758
chemicalCompound:mwFreebase	582.87
chemicalCompound:alogp	10.503
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	75.99
chemicalCompound:rtb	26
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	8.944
chemicalCompound:acdLogD	8.944
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	582.87
chemicalCompound:chemblId	CHEMBL504864
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:552758
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:2584270, activity:2584271, activity:2584272, activity:2584273, activity:2584274, activity:2584275, activity:2584276, activity:2584277, activity:2584278, activity:2584279, activity:2584280, activity:2584281, activity:2584282, activity:2584283, activity:2584284, activity:2584285, activity:2584286, activity:2584287, activity:2584288, activity:2584289, activity:2584290, activity:2584291, activity:2584292, activity:2584293, activity:2584294, activity:2584295, activity:2584296, activity:2584297, activity:2584298, activity:2584299, activity:2584300, activity:2584301, activity:2584302, activity:2584303, activity:2584304, activity:2584305, activity:2584306, activity:2584307, activity:2584308