517995

Source:http://linkedlifedata.com/resource/chembl/compound/517995

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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/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3
chemicalCompound:standardIn...	RUMOYJJNUMEFDD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=C)C1CCC(=CC1)C=O
chemicalCompound:molecularF...	C10H14O
chemicalCompound:moleculeId	517995
chemicalCompound:mwFreebase	150.218
chemicalCompound:alogp	2.668
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	17.07
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.053
chemicalCompound:acdLogD	3.053
chemicalCompound:fullMwt	150.218
chemicalCompound:chemblId	CHEMBL469537
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:617995
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	PERILLALDEHYDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:15421
chemicalCompound:activity	activity:2604880, activity:2604881, activity:2604885, activity:2604886, activity:2604891, activity:2604894, activity:3218678, activity:3301075