581554

Source:http://linkedlifedata.com/resource/chembl/compound/581554

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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/C20H24O2/c1-15-5-4-14-20(2,3)18(15)12-10-16-6-8-17(9-7-16)11-13-19(21)22/h6-13H,4-5,14H2,1-3H3,(H,21,22)/b12-10+,13-11+
chemicalCompound:standardIn...	ONIZREAONFMGNP-DCIPZJNNSA-N
chemicalCompound:canonicalS...	CC1=C(\C=C\c2ccc(\C=C\C(=O)O)cc2)C(C)(C)CCC1
chemicalCompound:molecularF...	C20H24O2
chemicalCompound:moleculeId	581554
chemicalCompound:mwFreebase	296.403
chemicalCompound:alogp	5.241
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	37.29
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.512
chemicalCompound:acdLogP	5.316
chemicalCompound:acdLogD	2.484
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	296.403
chemicalCompound:chemblId	CHEMBL571411
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:681554
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:2989043, activity:2989044, activity:2989047, activity:2989048, activity:2989059, activity:2989068, activity:2989069, activity:2989071