976453

Source:http://linkedlifedata.com/resource/chembl/compound/976453

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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/C22H28N6O/c1-5-23-22(29)17-7-6-12-27(13-17)21-20-19(15(3)24-25-21)16(4)28(26-20)18-10-8-14(2)9-11-18/h8-11,17H,5-7,12-13H2,1-4H3,(H,23,29)
chemicalCompound:standardIn...	XQKVSKHXPJIPCI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCNC(=O)C1CCCN(C1)c2nnc(C)c3c(C)n(nc23)c4ccc(C)cc4
chemicalCompound:molecularF...	C22H28N6O
chemicalCompound:moleculeId	976453
chemicalCompound:mwFreebase	392.497
chemicalCompound:alogp	2.934
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	75.94
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.849
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	392.497
chemicalCompound:acdMostBpk...	8.167
chemicalCompound:chemblId	CHEMBL1552569
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1076453
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:4041361, activity:4850358, activity:5060334, activity:5744515, activity:6655103, activity:6831642, activity:7251834, activity:7299054