166191

Source:http://linkedlifedata.com/resource/chembl/compound/166191

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:166191_Completely dealkylated diethylpropion_OTHER
chemicalCompound:standardIn...	InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3
chemicalCompound:standardIn...	PUAQLLVFLMYYJJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(N)C(=O)c1ccccc1
chemicalCompound:molecularF...	C9 H11 N O
chemicalCompound:moleculeId	166191
chemicalCompound:mwFreebase	149.19
chemicalCompound:alogp	1.092
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	43.09
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.916
chemicalCompound:acdLogD	0.246
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	149.19
chemicalCompound:acdMostBpk...	7.968
chemicalCompound:chemblId	CHEMBL1124
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:266191
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:59332
chemicalCompound:activity	activity:243384, activity:258373, activity:1208760, activity:1213932, activity:1220602