580027

Source:http://linkedlifedata.com/resource/chembl/compound/580027

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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/C16H24N2O3/c1-11(2)14-7-5-13(6-8-14)9-17-16(20)15(10-21-4)18-12(3)19/h5-8,11,15H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t15-/m1/s1
chemicalCompound:standardIn...	DXOASSCPOHEDNW-OAHLLOKOSA-N
chemicalCompound:canonicalS...	COC[C@@H](NC(=O)C)C(=O)NCc1ccc(cc1)C(C)C
chemicalCompound:molecularF...	C16H24N2O3
chemicalCompound:moleculeId	580027
chemicalCompound:mwFreebase	292.373
chemicalCompound:alogp	1.215
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	67.42
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.022
chemicalCompound:acdLogD	2.022
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	292.373
chemicalCompound:chemblId	CHEMBL569279
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:680027
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:2984171, activity:2984210, activity:2984249, activity:2984288, activity:2985074, activity:2985082, activity:2985180, activity:2985186