465924

Source:http://linkedlifedata.com/resource/chembl/compound/465924

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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/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(22)17-15-19(23)21(25)20(24)16-17/h15-16,23-25H,2-14H2,1H3
chemicalCompound:standardIn...	HABGUUCGLYNFMM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCCCCC(=O)c1cc(O)c(O)c(O)c1
chemicalCompound:molecularF...	C21H34O4
chemicalCompound:moleculeId	465924
chemicalCompound:mwFreebase	350.492
chemicalCompound:alogp	6.985
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	77.76
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.863
chemicalCompound:acdLogP	7.249
chemicalCompound:acdLogD	7.094
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	350.492
chemicalCompound:chemblId	CHEMBL463839
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:565924
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:2191222, activity:2191230, activity:2191240, activity:2191248, activity:2191257, activity:2191267, activity:2191275, activity:2191280, activity:2191294, activity:2191305, activity:2191310, activity:2191315, activity:2191320