570989

Source:http://linkedlifedata.com/resource/chembl/compound/570989

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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/C20H24O4/c1-19(2)8-4-9-20(3)15(6-5-13-7-10-24-12-13)14(11-21)16(22)17(23)18(19)20/h5-7,10-12,15,18,22H,4,8-9H2,1-3H3/b6-5+/t15-,18-,20+/m0/s1
chemicalCompound:standardIn...	KUZVESKWERRMKK-PIOJPPRKSA-N
chemicalCompound:canonicalS...	CC1(C)CCC[C@]2(C)[C@@H](\C=C\c3cocc3)C(=C(O)C(=O)[C@@H]12)C=O
chemicalCompound:molecularF...	C20H24O4
chemicalCompound:moleculeId	570989
chemicalCompound:mwFreebase	328.402
chemicalCompound:alogp	3.14
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	67.5
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	4.29
chemicalCompound:acdLogD	1.487
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	328.402
chemicalCompound:chemblId	CHEMBL582854
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:670989
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:2927466, activity:2927475, activity:2927477, activity:2927486