185223

Source:http://linkedlifedata.com/resource/chembl/compound/185223

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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/C28H28N4O/c1-2-3-17-31(25-13-15-28(16-14-25)33-27-7-5-4-6-8-27)21-26-19-30-22-32(26)20-24-11-9-23(18-29)10-12-24/h4-16,19,22H,2-3,17,20-21H2,1H3
chemicalCompound:standardIn...	FKXPPQNTJJVEBD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCN(Cc1cncn1Cc2ccc(cc2)C#N)c3ccc(Oc4ccccc4)cc3
chemicalCompound:molecularF...	C28 H28 N4 O
chemicalCompound:moleculeId	185223
chemicalCompound:mwFreebase	436.548
chemicalCompound:alogp	6.098
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	54.08
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.939
chemicalCompound:acdLogD	5.903
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	436.548
chemicalCompound:acdMostBpk...	6.328
chemicalCompound:chemblId	CHEMBL112079
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:285223
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:566511