239960

Source:http://linkedlifedata.com/resource/chembl/compound/239960

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C17H26O3/c1-3-4-5-6-7-10-17(2)12-15(19)14-9-8-13(18)11-16(14)20-17/h8-9,11,15,18-19H,3-7,10,12H2,1-2H3
chemicalCompound:standardIn...	FSMYPNRQLOJXMQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCC1(C)CC(O)c2ccc(O)cc2O1
chemicalCompound:molecularF...	C17 H26 O3
chemicalCompound:moleculeId	239960
chemicalCompound:mwFreebase	278.387
chemicalCompound:alogp	4.264
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	49.69
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.844
chemicalCompound:acdLogP	4.457
chemicalCompound:acdLogD	4.455
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	278.387
chemicalCompound:chemblId	CHEMBL142867
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:339960
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:1277811, activity:1277812, activity:1277813, activity:1277814, activity:1277815, activity:1277816, activity:1277817, activity:1277818