46150

Source:http://linkedlifedata.com/resource/chembl/compound/46150

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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/C23H16O5/c24-20-13-22(28-21-11-8-17(23(25)26)12-19(20)21)16-6-9-18(10-7-16)27-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,25,26)
chemicalCompound:standardIn...	OKDBMPIHXWYQIN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1ccc2OC(=CC(=O)c2c1)c3ccc(OCc4ccccc4)cc3
chemicalCompound:molecularF...	C23 H16 O5
chemicalCompound:moleculeId	46150
chemicalCompound:mwFreebase	372.37
chemicalCompound:alogp	4.333
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	72.83
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.766
chemicalCompound:acdLogP	4.027
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	372.37
chemicalCompound:chemblId	CHEMBL33613
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:146150
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:391862