452844

Source:http://linkedlifedata.com/resource/chembl/compound/452844

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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/C15H14O5/c1-18-15-12(19-11-4-2-3-10(11)16)7-5-9-6-8-13(17)20-14(9)15/h5-8,11H,2-4H2,1H3
chemicalCompound:standardIn...	KOWUPRYYOKHDTR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1c(OC2CCCC2=O)ccc3C=CC(=O)Oc13
chemicalCompound:molecularF...	C15H14O5
chemicalCompound:moleculeId	452844
chemicalCompound:mwFreebase	274.269
chemicalCompound:alogp	2.296
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	61.83
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.382
chemicalCompound:acdLogD	0.382
chemicalCompound:fullMwt	274.269
chemicalCompound:chemblId	CHEMBL519426
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:552844
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:2592059, activity:2592083, activity:2592804