442704

Source:http://linkedlifedata.com/resource/chembl/compound/442704

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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/C20H28O/c1-13(2)14-7-9-16-15(18(14)21)8-10-17-19(3,4)11-6-12-20(16,17)5/h7-9,13,17H,6,10-12H2,1-5H3/t17-,20+/m0/s1
chemicalCompound:standardIn...	LIYZCWXRVNEQMR-FXAWDEMLSA-N
chemicalCompound:canonicalS...	CC(C)C1=CC=C2C(=CC[C@H]3C(C)(C)CCC[C@]23C)C1=O
chemicalCompound:molecularF...	C20H28O
chemicalCompound:moleculeId	442704
chemicalCompound:mwFreebase	284.436
chemicalCompound:alogp	5.12
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	17.07
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.454
chemicalCompound:acdLogD	5.454
chemicalCompound:fullMwt	284.436
chemicalCompound:chemblId	CHEMBL506233
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:542704
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	DEOXYBUDDLEJONE
chemicalCompound:activity	activity:2178600, activity:2178604, activity:2178608, activity:2178618, activity:2178623, activity:2178628, activity:2178633, activity:2178638, activity:2178643