568502

Source:http://linkedlifedata.com/resource/chembl/compound/568502

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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/C16H12O5/c17-14(10-15(18)16(19)20)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-10,18H,(H,19,20)/b15-10-
chemicalCompound:standardIn...	SFCTWMXOJGKNNX-GDNBJRDFSA-N
chemicalCompound:canonicalS...	OC(=O)\C(=C\C(=O)c1ccc(Oc2ccccc2)cc1)\O
chemicalCompound:molecularF...	C16H12O5
chemicalCompound:moleculeId	568502
chemicalCompound:mwFreebase	284.263
chemicalCompound:alogp	2.835
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	83.83
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.071
chemicalCompound:acdLogP	4.026
chemicalCompound:acdLogD	0.508
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	284.263
chemicalCompound:chemblId	CHEMBL573638
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668502
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:2920564