1105441

Source:http://linkedlifedata.com/resource/chembl/compound/1105441

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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/C23H33N3O2/c1-19-5-4-6-20(15-19)26-13-10-24-22(26)17-25-11-8-23(18-27,9-12-25)16-21-7-2-3-14-28-21/h4-6,10,13,15,21,27H,2-3,7-9,11-12,14,16-18H2,1H3
chemicalCompound:standardIn...	QZKSLPAYGRHXFJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(c1)n2ccnc2CN3CCC(CO)(CC4CCCCO4)CC3
chemicalCompound:molecularF...	C23H33N3O2
chemicalCompound:moleculeId	1105441
chemicalCompound:mwFreebase	383.527
chemicalCompound:alogp	3.122
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	50.52
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.909
chemicalCompound:acdLogD	3.3
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	383.527
chemicalCompound:acdMostBpk...	7.614
chemicalCompound:chemblId	CHEMBL1724710
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1205441
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:5342334, activity:5409684, activity:5538365, activity:5855528, activity:5860950, activity:5881651, activity:5973756