570997

Source:http://linkedlifedata.com/resource/chembl/compound/570997

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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/C17H24O3/c1-11-10-13(18)15-16(2,3)8-5-9-17(15,4)12(11)6-7-14(19)20/h6-7,10,12,15H,5,8-9H2,1-4H3,(H,19,20)/b7-6+/t12-,15-,17+/m0/s1
chemicalCompound:standardIn...	VJFQWFRGXBGQMI-ZPOPHIPLSA-N
chemicalCompound:canonicalS...	CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1\C=C\C(=O)O
chemicalCompound:molecularF...	C17H24O3
chemicalCompound:moleculeId	570997
chemicalCompound:mwFreebase	276.371
chemicalCompound:alogp	3.52
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	54.37
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.407
chemicalCompound:acdLogP	3.809
chemicalCompound:acdLogD	0.885
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	276.371
chemicalCompound:chemblId	CHEMBL573722
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:670997
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:2927465, activity:2927474, activity:2927478, activity:2927487