57539

Source:http://linkedlifedata.com/resource/chembl/compound/57539

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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/C22H28N4O/c1-21(2,3)13-10-14(18(27)15(11-13)22(4,5)6)20-25-16-8-7-12(19(23)24)9-17(16)26-20/h7-11,27H,1-6H3,(H3,23,24)(H,25,26)
chemicalCompound:standardIn...	OIRUIZLCTOBIQB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)c2nc3cc(ccc3[nH]2)C(=N)N
chemicalCompound:molecularF...	C22 H28 N4 O
chemicalCompound:moleculeId	57539
chemicalCompound:mwFreebase	364.484
chemicalCompound:alogp	4.886
chemicalCompound:hba	3
chemicalCompound:hbd	4
chemicalCompound:psa	98.78
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.2
chemicalCompound:acdLogP	4.453
chemicalCompound:acdLogD	2.49
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	364.484
chemicalCompound:acdMostBpk...	12.471
chemicalCompound:chemblId	CHEMBL39634
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:157539
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:779064, activity:779065, activity:779066, activity:779067, activity:779068