84740

Source:http://linkedlifedata.com/resource/chembl/compound/84740

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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)9-14(16(20)21-3)18-15(19)13(17)10-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10,17H2,1-3H3,(H,18,19)/t13-,14-/m0/s1
chemicalCompound:standardIn...	HGVNLOSOAISYIT-KBPBESRZSA-N
chemicalCompound:canonicalS...	COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1
chemicalCompound:molecularF...	C16 H24 N2 O3
chemicalCompound:moleculeId	84740
chemicalCompound:mwFreebase	292.373
chemicalCompound:alogp	1.875
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	81.42
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.75
chemicalCompound:acdLogP	2.638
chemicalCompound:acdLogD	2.579
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	292.373
chemicalCompound:acdMostBpk...	6.834
chemicalCompound:chemblId	CHEMBL300550
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:184740
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:222589, activity:222590