82457

Source:http://linkedlifedata.com/resource/chembl/compound/82457

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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/C25H32N4O/c1-6-29(7-2)14-8-12-26-25-23-17(4)22-20-15-18(30)9-10-21(20)28(5)24(22)16(3)19(23)11-13-27-25/h9-11,13,15,30H,6-8,12,14H2,1-5H3,(H,26,27)
chemicalCompound:standardIn...	WSMYEMDZCLVLJH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)CCCNc1nccc2c(C)c3c(c(C)c12)c4cc(O)ccc4n3C
chemicalCompound:molecularF...	C25 H32 N4 O
chemicalCompound:moleculeId	82457
chemicalCompound:mwFreebase	404.548
chemicalCompound:alogp	4.791
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	53.32
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.861
chemicalCompound:acdLogP	6.638
chemicalCompound:acdLogD	3.397
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	404.548
chemicalCompound:acdMostBpk...	10.334
chemicalCompound:chemblId	CHEMBL55137
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:182457
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:363607, activity:363608, activity:363609, activity:363610, activity:363611, activity:363612, activity:363613, activity:1611813, activity:1611814, activity:1611815, activity:1611816, activity:1611817, activity:1611818