1159091

Source:http://linkedlifedata.com/resource/chembl/compound/1159091

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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/C27H35N3O3/c1-27(22-10-4-3-5-11-22)20-25(31)30(26(32)21-27)15-9-8-14-28-16-18-29(19-17-28)23-12-6-7-13-24(23)33-2/h3-7,10-13H,8-9,14-21H2,1-2H3
chemicalCompound:standardIn...	KBIGYGRLFLGJAZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1N2CCN(CCCCN3C(=O)CC(C)(CC3=O)c4ccccc4)CC2
chemicalCompound:molecularF...	C27H35N3O3
chemicalCompound:moleculeId	1159091
chemicalCompound:mwFreebase	449.585
chemicalCompound:alogp	3.754
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	53.09
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.781
chemicalCompound:acdLogD	3.373
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	449.585
chemicalCompound:acdMostBpk...	7.911
chemicalCompound:chemblId	CHEMBL1796046
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1259091
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:6264445, activity:6264446, activity:6264447, activity:6264464, activity:6264467, activity:6264470, activity:6264473, activity:6264476, activity:6264479