465911

Source:http://linkedlifedata.com/resource/chembl/compound/465911

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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/C18H28O4/c1-2-3-4-5-6-7-8-9-10-11-15(19)14-12-16(20)18(22)17(21)13-14/h12-13,20-22H,2-11H2,1H3
chemicalCompound:standardIn...	TXMSPHFHTXABMF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCC(=O)c1cc(O)c(O)c(O)c1
chemicalCompound:molecularF...	C18H28O4
chemicalCompound:moleculeId	465911
chemicalCompound:mwFreebase	308.413
chemicalCompound:alogp	5.616
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	77.76
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.864
chemicalCompound:acdLogP	5.721
chemicalCompound:acdLogD	5.566
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	308.413
chemicalCompound:chemblId	CHEMBL464854
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:565911
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:2191224, activity:2191232, activity:2191242, activity:2191250, activity:2191259, activity:2191269, activity:2191282, activity:2191288, activity:2191296, activity:2191307, activity:2191312, activity:2191317, activity:2191322