184146

Source:http://linkedlifedata.com/resource/chembl/compound/184146

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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/C25H28O6/c26-19-11-9-18(10-12-19)22-17-31-23-16-20(13-14-21(23)25(22)29)30-15-7-5-3-1-2-4-6-8-24(27)28/h9-14,16-17,26H,1-8,15H2,(H,27,28)
chemicalCompound:standardIn...	CLHWPQYIZAZQJJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)CCCCCCCCCOc1ccc2C(=O)C(=COc2c1)c3ccc(O)cc3
chemicalCompound:molecularF...	C25H28O6
chemicalCompound:moleculeId	184146
chemicalCompound:mwFreebase	424.486
chemicalCompound:alogp	5.396
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	93.06
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.778
chemicalCompound:acdLogP	5.713
chemicalCompound:acdLogD	3.119
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	424.486
chemicalCompound:chemblId	CHEMBL112696
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:284146
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:657245, activity:657246, activity:657247, activity:657248, activity:657249, activity:657250, activity:657251, activity:657252, activity:657253, activity:657254, activity:657255, activity:657256, activity:657257, activity:774909, activity:774910, activity:2560259