484231

Source:http://linkedlifedata.com/resource/chembl/compound/484231

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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/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15-/m0/s1
chemicalCompound:standardIn...	RGZSQWQPBWRIAQ-GJZGRUSLSA-N
chemicalCompound:canonicalS...	CC(=CCC[C@](C)(O)[C@@H]1CCC(=CC1)C)C
chemicalCompound:molecularF...	C15H26O
chemicalCompound:moleculeId	484231
chemicalCompound:mwFreebase	222.366
chemicalCompound:alogp	4.309
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	20.23
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.592
chemicalCompound:acdLogD	4.592
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	222.366
chemicalCompound:chemblId	CHEMBL519167
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:584231
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:2183286, activity:2183292, activity:2313868, activity:2664366, activity:2664372, activity:2664378, activity:2664381, activity:2664387, activity:2664392, activity:2664396, activity:2664401, activity:2664405, activity:2664415