579542

Source:http://linkedlifedata.com/resource/chembl/compound/579542

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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/C23H33N3O/c1-22(2)21(23(22,3)4)20(27)18-16-26(19-9-7-6-8-17(18)19)15-14-25-12-10-24(5)11-13-25/h6-9,16,21H,10-15H2,1-5H3
chemicalCompound:standardIn...	SPACSAKNWLXMOR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(CCn2cc(C(=O)C3C(C)(C)C3(C)C)c4ccccc24)CC1
chemicalCompound:molecularF...	C23H33N3O
chemicalCompound:moleculeId	579542
chemicalCompound:mwFreebase	367.528
chemicalCompound:alogp	3.839
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	28.48
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.061
chemicalCompound:acdLogD	4.496
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	367.528
chemicalCompound:acdMostBpk...	7.641
chemicalCompound:chemblId	CHEMBL570909
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:679542
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:2980445, activity:2980514, activity:2980563, activity:2980631