1058819

Source:http://linkedlifedata.com/resource/chembl/compound/1058819

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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/C20H17NO2/c1-21(20(23)16-6-3-2-4-7-16)18-9-5-8-17(14-18)15-10-12-19(22)13-11-15/h2-14,22H,1H3
chemicalCompound:standardIn...	ZQDQDVGSTUDGAM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C(=O)c1ccccc1)c2cccc(c2)c3ccc(O)cc3
chemicalCompound:molecularF...	C20H17NO2
chemicalCompound:moleculeId	1058819
chemicalCompound:mwFreebase	303.354
chemicalCompound:alogp	4.096
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	40.54
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.776
chemicalCompound:acdLogP	3.922
chemicalCompound:acdLogD	3.92
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	303.354
chemicalCompound:acdMostBpk...	0.284
chemicalCompound:chemblId	CHEMBL1644060
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1158819
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:5133146, activity:5133203