160106

Source:http://linkedlifedata.com/resource/chembl/compound/160106

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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/C26H31N5O/c1-26(2,3)19-8-10-20(11-9-19)30-15-12-29(13-16-30)14-17-31-18-27-23-21-6-4-5-7-22(21)28-24(23)25(31)32/h4-11,18,32H,12-17H2,1-3H3
chemicalCompound:standardIn...	ZJDZLOMQPUVIDD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)c1ccc(cc1)N2CCN(CCn3cnc4c5ccccc5nc4c3O)CC2
chemicalCompound:molecularF...	C26 H31 N5 O
chemicalCompound:moleculeId	160106
chemicalCompound:mwFreebase	429.557
chemicalCompound:alogp	4.925
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	57.42
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.993
chemicalCompound:acdLogP	5.659
chemicalCompound:acdLogD	5.13
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	429.557
chemicalCompound:acdMostBpk...	7.155
chemicalCompound:chemblId	CHEMBL99994
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:260106
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:1167583, activity:1167584, activity:1167585