489298

Source:http://linkedlifedata.com/resource/chembl/compound/489298

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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/C27H28N4O2/c32-27-20-7-2-1-6-19(20)16-25-26-23(18-31(25)27)22(21-8-3-4-9-24(21)29-26)17-28-10-5-11-30-12-14-33-15-13-30/h1-4,6-9,16,28H,5,10-15,17-18H2
chemicalCompound:standardIn...	NPZQNXKTKDVMJQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C1N2Cc3c(CNCCCN4CCOCC4)c5ccccc5nc3C2=Cc6ccccc16
chemicalCompound:molecularF...	C27H28N4O2
chemicalCompound:moleculeId	489298
chemicalCompound:mwFreebase	440.537
chemicalCompound:alogp	2.475
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	57.7
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.725
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	440.537
chemicalCompound:acdMostBpk...	7.98
chemicalCompound:chemblId	CHEMBL517218
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:589298
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:2567425, activity:2567427, activity:2567429, activity:2568101, activity:2568103, activity:2568105, activity:2568107, activity:2568109