465420

Source:http://linkedlifedata.com/resource/chembl/compound/465420

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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/C17H12O4/c1-10-14(18)12-8-5-9-13(17(19)20)16(12)21-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,20)
chemicalCompound:standardIn...	KMMBBZOSQNLLMN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=C(Oc2c(cccc2C1=O)C(=O)O)c3ccccc3
chemicalCompound:molecularF...	C17H12O4
chemicalCompound:moleculeId	465420
chemicalCompound:mwFreebase	280.275
chemicalCompound:alogp	3.212
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	63.6
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.854
chemicalCompound:acdLogP	3.42
chemicalCompound:acdLogD	0.287
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	280.275
chemicalCompound:chemblId	CHEMBL1615
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:565420
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:61237
chemicalCompound:activity	activity:2197084, activity:2197113, activity:2197142, activity:6389888