905059

Source:http://linkedlifedata.com/resource/chembl/compound/905059

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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/C20H18N2O3/c1-12-6-2-3-10-15(12)21-19(24)16-18(23)14-9-4-7-13-8-5-11-22(17(13)14)20(16)25/h2-4,6-7,9-10,23H,5,8,11H2,1H3,(H,21,24)
chemicalCompound:standardIn...	XIHJBWCLSAXVFT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccccc1NC(=O)C2=C(O)c3cccc4CCCN(C2=O)c34
chemicalCompound:molecularF...	C20H18N2O3
chemicalCompound:moleculeId	905059
chemicalCompound:mwFreebase	334.369
chemicalCompound:alogp	2.682
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	69.64
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	3.457
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	334.369
chemicalCompound:acdMostBpk...	1.244
chemicalCompound:chemblId	CHEMBL1481175
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1005059
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:4881318