127941

Source:http://linkedlifedata.com/resource/chembl/compound/127941

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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/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
chemicalCompound:standardIn...	NCYCYZXNIZJOKI-OVSJKPMPSA-N
chemicalCompound:canonicalS...	C\C(=C/C=O)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
chemicalCompound:molecularF...	C20H28O
chemicalCompound:moleculeId	127941
chemicalCompound:mwFreebase	284.436
chemicalCompound:alogp	5.573
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	17.07
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	6.376
chemicalCompound:acdLogD	6.376
chemicalCompound:fullMwt	284.436
chemicalCompound:chemblId	CHEMBL81379
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:227941
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	RETINAL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:17898
chemicalCompound:activity	activity:117921, activity:2151170, activity:2151171, activity:2151173, activity:2151176, activity:2151177, activity:2151179, activity:2151182, activity:2151183, activity:2151185, activity:2151188, activity:2151189, activity:2151191, activity:2151194, activity:2151195, activity:2151197, activity:2151201, activity:2151202, activity:2151203, activity:2176164, activity:3607801, activity:3658068, activity:3698466, activity:3768720, activity:3773594, activity:3774830, activity:3777925, activity:3778933, activity:3894620, activity:3902883, activity:3904803, activity:3919743, activity:3931608, activity:3950114, activity:3951372, activity:4057246, activity:4078794, activity:4106415, activity:4113905, activity:4170560, activity:4291491, activity:4371322, activity:4466722, activity:4587251, activity:4671300, activity:4674482, activity:4717885, activity:4723527, activity:4749383, activity:4783687, activity:4862959, activity:4865157, activity:4872695, activity:4872908, activity:4896444, activity:4901630, activity:4902108, activity:4976534, activity:4979451, activity:4984468, activity:4993884, activity:5019629, activity:5022739, activity:5059027, activity:5069033, activity:5078273, activity:6445193