107585

Source:http://linkedlifedata.com/resource/chembl/compound/107585

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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/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
chemicalCompound:standardIn...	WWUZIQQURGPMPG-KRWOKUGFSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO
chemicalCompound:molecularF...	C18H37NO2
chemicalCompound:moleculeId	107585
chemicalCompound:mwFreebase	299.492
chemicalCompound:alogp	4.824
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	66.48
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.804
chemicalCompound:acdLogP	5.039
chemicalCompound:acdLogD	3.213
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	299.492
chemicalCompound:acdMostBpk...	7.883
chemicalCompound:chemblId	CHEMBL67166
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:207585
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	SPHINGOSINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:16393
chemicalCompound:activity	activity:262616, activity:262617, activity:262618, activity:262619, activity:326419, activity:326420, activity:933693, activity:933694, activity:933695, activity:933696, activity:933697, activity:933698, activity:933699, activity:933700, activity:933701, activity:933702, activity:977611, activity:977612, activity:1227250, activity:1227251, activity:1227252, activity:1238659, activity:1260224, activity:1260225, activity:1260226, activity:1286610, activity:1286611, activity:2013298, activity:2013299, activity:2182476, activity:2182490, activity:2182491, activity:2182492, activity:2182493, activity:2182494, activity:2182495, activity:2182496, activity:2319810, activity:2319811, activity:2319816, activity:2319817, activity:2319818, activity:2319819, activity:2362610, activity:2362613, activity:2362614, activity:2362615, activity:2644679, activity:2644687, activity:3187472, activity:3396811, activity:3396812, activity:3396813, activity:3396814, activity:3396815, activity:3396816, activity:3396817, activity:3396818, activity:3396819, activity:3396820, activity:3396821, activity:3396822, activity:3396823, activity:3396824