523484

Source:http://linkedlifedata.com/resource/chembl/compound/523484

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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/C25H24N6O/c1-25(2,3)16-6-4-5-15(21(16)32)24-29-18-10-8-14(12-20(18)31-24)23-28-17-9-7-13(22(26)27)11-19(17)30-23/h4-12,32H,1-3H3,(H3,26,27)(H,28,30)(H,29,31)
chemicalCompound:standardIn...	ADNQIAKQUHWSCS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)c1cccc(c1O)c2nc3ccc(cc3[nH]2)c4nc5cc(ccc5[nH]4)C(=N)N
chemicalCompound:molecularF...	C25H24N6O
chemicalCompound:moleculeId	523484
chemicalCompound:mwFreebase	424.498
chemicalCompound:alogp	4.926
chemicalCompound:hba	4
chemicalCompound:hbd	5
chemicalCompound:psa	127.46
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.205
chemicalCompound:acdLogP	3.26
chemicalCompound:acdLogD	1.259
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	424.498
chemicalCompound:acdMostBpk...	12.707
chemicalCompound:chemblId	CHEMBL485173
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:623484
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:2291181, activity:2291197, activity:2291200, activity:2291212, activity:2291251, activity:2291277, activity:2291294, activity:2291311, activity:2291328