256839

Source:http://linkedlifedata.com/resource/chembl/compound/256839

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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/C14H24N2O6/c1-8(17)12(16-13(20)10(15)7-11(18)19)14(21)22-9-5-3-2-4-6-9/h8-10,12,17H,2-7,15H2,1H3,(H,16,20)(H,18,19)/t8?,10-,12+/m1/s1
chemicalCompound:standardIn...	BFDJHUSQAAZUHU-FVIPRIBZSA-N
chemicalCompound:canonicalS...	CC(O)[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)OC1CCCCC1
chemicalCompound:molecularF...	C14 H24 N2 O6
chemicalCompound:moleculeId	256839
chemicalCompound:mwFreebase	316.35
chemicalCompound:alogp	-2.663
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	138.94
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.693
chemicalCompound:acdLogP	0.743
chemicalCompound:acdLogD	-2.07
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	316.35
chemicalCompound:acdMostBpk...	7.386
chemicalCompound:chemblId	CHEMBL156660
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:356839
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:31943, activity:51501