619813

Source:http://linkedlifedata.com/resource/chembl/compound/619813

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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/C20H19NO5/c1-4-26-20(23)17-18(12-6-5-7-13(10-12)24-2)21-16-11-14(25-3)8-9-15(16)19(17)22/h5-11H,4H2,1-3H3,(H,21,22)
chemicalCompound:standardIn...	KWRPQBUOZRTWTK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)C1=C(Nc2cc(OC)ccc2C1=O)c3cccc(OC)c3
chemicalCompound:molecularF...	C20H19NO5
chemicalCompound:moleculeId	619813
chemicalCompound:mwFreebase	353.369
chemicalCompound:alogp	3.093
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	73.86
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.278
chemicalCompound:acdLogD	3.278
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	353.369
chemicalCompound:acdMostBpk...	0.111
chemicalCompound:chemblId	CHEMBL1092774
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:719813
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:3241658, activity:3241737, activity:3241741, activity:3241787, activity:3262313, activity:3262360, activity:3262407, activity:3262454, activity:3262501, activity:3262535