523483

Source:http://linkedlifedata.com/resource/chembl/compound/523483

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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/C25H24N6/c1-25(2,3)17-8-4-14(5-9-17)23-28-19-11-7-16(13-21(19)30-23)24-29-18-10-6-15(22(26)27)12-20(18)31-24/h4-13H,1-3H3,(H3,26,27)(H,28,30)(H,29,31)
chemicalCompound:standardIn...	BCJVQDUCOVAMBD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)c1ccc(cc1)c2nc3ccc(cc3[nH]2)c4nc5cc(ccc5[nH]4)C(=N)N
chemicalCompound:molecularF...	C25H24N6
chemicalCompound:moleculeId	523483
chemicalCompound:mwFreebase	408.498
chemicalCompound:alogp	5.168
chemicalCompound:hba	3
chemicalCompound:hbd	4
chemicalCompound:psa	107.22
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.224
chemicalCompound:acdLogP	4.995
chemicalCompound:acdLogD	2.994
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	408.498
chemicalCompound:acdMostBpk...	12.713
chemicalCompound:chemblId	CHEMBL485172
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:623483
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:2291172, activity:2291193, activity:2291195, activity:2291208, activity:2291211, activity:2291278, activity:2291295, activity:2291312, activity:2291329