54348

Source:http://linkedlifedata.com/resource/chembl/compound/54348

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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)14-8-13-26-25-23-22-20-11-10-19(30-5)15-18(20)9-12-21(22)28(4)24(23)17(3)16-27-25/h9-12,15-16H,6-8,13-14H2,1-5H3,(H,26,27)
chemicalCompound:standardIn...	ANDQCGUILYOHRY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)CCCNc1ncc(C)c2c1c3c4ccc(OC)cc4ccc3n2C
chemicalCompound:molecularF...	C25 H32 N4 O
chemicalCompound:moleculeId	54348
chemicalCompound:mwFreebase	404.548
chemicalCompound:alogp	4.53
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	42.32
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.133
chemicalCompound:acdLogD	2.067
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	404.548
chemicalCompound:acdMostBpk...	10.906
chemicalCompound:chemblId	CHEMBL417505
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:154348
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:1293113, activity:1293114, activity:1293115, activity:1293116, activity:1293117, activity:1293118