1248598

Source:http://linkedlifedata.com/resource/chembl/compound/1248598

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C15H13NO2/c1-9(17)16-11-5-6-12-10(7-11)8-14-13(12)3-2-4-15(14)18/h2-7,18H,8H2,1H3,(H,16,17)
chemicalCompound:standardIn...	UPRACZYHTIBSGP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Nc1ccc2c(Cc3c(O)cccc23)c1
chemicalCompound:molecularF...	C15H13NO2
chemicalCompound:moleculeId	1248598
chemicalCompound:mwFreebase	239.269
chemicalCompound:alogp	2.371
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	49.33
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.764
chemicalCompound:acdLogP	2.506
chemicalCompound:acdLogD	2.505
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	239.269
chemicalCompound:acdMostBpk...	0.425
chemicalCompound:chemblId	CHEMBL1908056
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1348598
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:7564939, activity:7564940, activity:7564941, activity:7564942