882077

Source:http://linkedlifedata.com/resource/chembl/compound/882077

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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/C18H18O5/c1-3-22-15-10-9-12(11-16(15)23-4-2)17(19)13-7-5-6-8-14(13)18(20)21/h5-11H,3-4H2,1-2H3,(H,20,21)
chemicalCompound:standardIn...	OBLVZWVKNCXJKD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1ccc(cc1OCC)C(=O)c2ccccc2C(=O)O
chemicalCompound:molecularF...	C18H18O5
chemicalCompound:moleculeId	882077
chemicalCompound:mwFreebase	314.333
chemicalCompound:alogp	3.528
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	72.83
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.39
chemicalCompound:acdLogP	2.858
chemicalCompound:acdLogD	-0.236
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	314.333
chemicalCompound:chemblId	CHEMBL1458193
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:982077
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:3621602, activity:4718305, activity:4855779, activity:5697815, activity:7225729