509948

Source:http://linkedlifedata.com/resource/chembl/compound/509948

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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/C19H19N3O4/c1-24-16-8-13(9-17(25-2)19(16)26-3)21-18-11-20-10-15(22-18)12-4-6-14(23)7-5-12/h4-11,23H,1-3H3,(H,21,22)
chemicalCompound:standardIn...	FWHFBPUHLZCHFN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(Nc2cncc(n2)c3ccc(O)cc3)cc(OC)c1OC
chemicalCompound:molecularF...	C19H19N3O4
chemicalCompound:moleculeId	509948
chemicalCompound:mwFreebase	353.372
chemicalCompound:alogp	3.273
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	85.73
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.384
chemicalCompound:acdLogP	1.851
chemicalCompound:acdLogD	1.767
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	353.372
chemicalCompound:acdMostBpk...	2.291
chemicalCompound:chemblId	CHEMBL500151
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:609948
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:2340220