879352

Source:http://linkedlifedata.com/resource/chembl/compound/879352

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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/C22H17NO6/c1-3-6-26-16-5-4-12(7-17(16)25-2)20-13-8-18-19(29-11-28-18)9-14(13)23-15-10-27-22(24)21(15)20/h1,4-5,7-9,20,24H,6,10-11H2,2H3
chemicalCompound:standardIn...	RRHWXYCUDOMINK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(ccc1OCC#C)C2C3=C(O)OCC3=Nc4cc5OCOc5cc24
chemicalCompound:molecularF...	C22H17NO6
chemicalCompound:moleculeId	879352
chemicalCompound:mwFreebase	391.373
chemicalCompound:alogp	4.246
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	78.74
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.358
chemicalCompound:acdLogP	2.599
chemicalCompound:acdLogD	2.499
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	391.373
chemicalCompound:acdMostBpk...	3.045
chemicalCompound:chemblId	CHEMBL1455468
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:979352
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:3657040, activity:3692754, activity:3700388, activity:3721621, activity:3847273, activity:3952543, activity:4038543, activity:4173212, activity:4372786, activity:4414112, activity:4705794, activity:4771479, activity:4847713, activity:4905952, activity:4942273, activity:4956064, activity:4974140, activity:5411599, activity:5593276, activity:5671275, activity:6545829, activity:7305680, activity:7356249, activity:7443454