109889

Source:http://linkedlifedata.com/resource/chembl/compound/109889

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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:10467
chemicalCompound:synonym	synonym:109889_Palmoxirate sodium_OTHER
chemicalCompound:standardIn...	InChI=1S/C17H32O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-20-17)16(18)19;/h2-15H2,1H3,(H,18,19);/q;+1/p-1
chemicalCompound:standardIn...	PAKGDHCMLYSCMW-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[Na+].CCCCCCCCCCCCCCC1(CO1)C(=O)[O-]
chemicalCompound:molecularF...	C17 H31 O3 . Na
chemicalCompound:moleculeId	109889
chemicalCompound:mwFreebase	284.434
chemicalCompound:alogp	5.795
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	49.83
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.663
chemicalCompound:acdLogP	6.057
chemicalCompound:acdLogD	2.614
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	306.416
chemicalCompound:chemblId	CHEMBL68081
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:209889
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:259928, activity:259929, activity:259930, activity:259931