514478

Source:http://linkedlifedata.com/resource/chembl/compound/514478

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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/C24H25N5O2/c1-28(23(31)18-6-4-3-5-7-18)19-12-13-21-20(14-19)26-24(29(21)2)27-22(30)17-10-8-16(15-25)9-11-17/h8-14,18H,3-7H2,1-2H3,(H,26,27,30)
chemicalCompound:standardIn...	AOFJRBMLTUGMMP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C(=O)C1CCCCC1)c2ccc3c(c2)nc(NC(=O)c4ccc(cc4)C#N)n3C
chemicalCompound:molecularF...	C24H25N5O2
chemicalCompound:moleculeId	514478
chemicalCompound:mwFreebase	415.488
chemicalCompound:alogp	4.209
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	91.02
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.758
chemicalCompound:acdLogP	2.705
chemicalCompound:acdLogD	2.703
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	415.488
chemicalCompound:acdMostBpk...	5.1
chemicalCompound:chemblId	CHEMBL519697
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:614478
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:2468165, activity:9507994, activity:9511393, activity:9519423, activity:9520015, activity:9520234, activity:9520493, activity:9520722, activity:9523759, activity:9524080, activity:9532594, activity:9532834, activity:9533279, activity:9535981, activity:9536235, activity:9539875, activity:9540439, activity:9545035, activity:9545384, activity:9548719, activity:9549324, activity:9552180, activity:9552521, activity:9552754, activity:9557282, activity:9557683, activity:9561058, activity:9565333, activity:9565727, activity:9568797, activity:9570302, activity:9572170, activity:9573458, activity:9574813, activity:9574889, activity:9575170, activity:9575530, activity:9576167, activity:9577645, activity:9578390, activity:9580119, activity:9581685, activity:9581780, activity:9583112, activity:9583198, activity:9584538, activity:9584910, activity:9586283, activity:9586678, activity:9587240, activity:9587502, activity:9587739, activity:9589117, activity:9589270, activity:9589989, activity:9592302, activity:9593500, activity:9594462, activity:9594784, activity:9595226, activity:9595586, activity:9596345, activity:9596991, activity:9597680, activity:9597761, activity:9598827