809396

Source:http://linkedlifedata.com/resource/chembl/compound/809396

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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/C20H13NO5/c22-11-5-7-15-17(9-11)26-18-10-12(23)6-8-16(18)21-19(15)13-3-1-2-4-14(13)20(24)25/h1-10,22-23H,(H,24,25)
chemicalCompound:standardIn...	FOPDVSATCFBKCH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1ccccc1C2=Nc3ccc(O)cc3Oc4cc(O)ccc24
chemicalCompound:molecularF...	C20H13NO5
chemicalCompound:moleculeId	809396
chemicalCompound:mwFreebase	347.321
chemicalCompound:alogp	3.947
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	99.35
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.5
chemicalCompound:acdLogP	3.286
chemicalCompound:acdLogD	0.171
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	347.321
chemicalCompound:acdMostBpk...	1.762
chemicalCompound:chemblId	CHEMBL1385512
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:909396
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:3606590, activity:3617444, activity:3659455, activity:3684561, activity:3781346, activity:3928389, activity:4057345, activity:4231177, activity:4574443, activity:4622213, activity:4829494, activity:5014768, activity:5503003, activity:5513628, activity:5567635, activity:5780232, activity:6453432, activity:6584860, activity:6670989, activity:6758411, activity:6771714, activity:6958789, activity:7309153