575244

Source:http://linkedlifedata.com/resource/chembl/compound/575244

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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/C18H16O3/c1-11-7-8-13(9-12(11)2)10-15-17(19)14-5-3-4-6-16(14)21-18(15)20/h3-9,19H,10H2,1-2H3
chemicalCompound:standardIn...	YGMVKOKEKHJHOV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(CC2=C(O)c3ccccc3OC2=O)cc1C
chemicalCompound:molecularF...	C18H16O3
chemicalCompound:moleculeId	575244
chemicalCompound:mwFreebase	280.318
chemicalCompound:alogp	4.269
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	46.53
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	4.774
chemicalCompound:acdLogD	1.971
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	280.318
chemicalCompound:chemblId	CHEMBL576116
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:675244
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:2939821, activity:2939850