55353

Source:http://linkedlifedata.com/resource/chembl/compound/55353

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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/C23H28N4O/c1-4-27(5-2)12-6-11-24-23-21-20-18-9-8-17(28)13-16(18)7-10-19(20)26-22(21)15(3)14-25-23/h7-10,13-14,24-25,28H,4-6,11-12H2,1-3H3
chemicalCompound:standardIn...	KIQZWPRHMJTDCT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)CCCNc1[nH]cc(C)c2nc3ccc4cc(O)ccc4c3c12
chemicalCompound:molecularF...	C23 H28 N4 O
chemicalCompound:moleculeId	55353
chemicalCompound:mwFreebase	376.495
chemicalCompound:alogp	4.431
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	64.18
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.234
chemicalCompound:acdLogP	5.231
chemicalCompound:acdLogD	1.192
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	376.495
chemicalCompound:acdMostBpk...	13.241
chemicalCompound:chemblId	CHEMBL290158
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:155353
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:1276515, activity:1276516, activity:1276517, activity:1276518, activity:1276519, activity:1276520, activity:1276521