564982

Source:http://linkedlifedata.com/resource/chembl/compound/564982

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:178621
chemicalCompound:standardIn...	InChI=1S/C12H24O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+1/p-1
chemicalCompound:standardIn...	BTURAGWYSMTVOW-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[Na+].CCCCCCCCCCCC(=O)[O-]
chemicalCompound:molecularF...	C12H23NaO2
chemicalCompound:moleculeId	564982
chemicalCompound:mwFreebase	200.318
chemicalCompound:alogp	4.568
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	37.29
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.782
chemicalCompound:acdLogP	4.773
chemicalCompound:acdLogD	2.185
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	222.3
chemicalCompound:chemblId	CHEMBL556792
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:664982
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:2649827, activity:2649844