431979

Source:http://linkedlifedata.com/resource/chembl/compound/431979

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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/C24H21NO6/c1-14-17(16-5-2-3-6-19(16)25-14)13-18-20(30-22(28)8-4-7-21(26)27)11-9-15-10-12-23(29)31-24(15)18/h2-3,5-6,9-12,25H,4,7-8,13H2,1H3,(H,26,27)
chemicalCompound:standardIn...	PIEVSUMEOIYORN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1[nH]c2ccccc2c1Cc3c(OC(=O)CCCC(=O)O)ccc4C=CC(=O)Oc34
chemicalCompound:molecularF...	C24 H21 N O6
chemicalCompound:moleculeId	431979
chemicalCompound:mwFreebase	419.427
chemicalCompound:alogp	4.382
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	105.69
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.581
chemicalCompound:acdLogP	2.403
chemicalCompound:acdLogD	-0.368
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	419.427
chemicalCompound:chemblId	CHEMBL259495
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:531979
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:2135189, activity:2135253, activity:2135316, activity:2135351, activity:2135421, activity:2135485, activity:2135549, activity:2135613, activity:2135677