822

Source:http://linkedlifedata.com/resource/chembl/compound/822

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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:822_ALPRENOLOL_TRADE_NAME, synonym:822_Alprenolol_INN
chemicalCompound:standardIn...	InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
chemicalCompound:standardIn...	PAZJSJFMUHDSTF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)NCC(O)COc1ccccc1CC=C
chemicalCompound:molecularF...	C15H23NO2
chemicalCompound:moleculeId	822
chemicalCompound:mwFreebase	249.349
chemicalCompound:alogp	2.639
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	41.48
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.88
chemicalCompound:acdLogP	2.905
chemicalCompound:acdLogD	0.807
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	249.349
chemicalCompound:acdMostBpk...	9.431
chemicalCompound:chemblId	CHEMBL266195
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100822
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ALPRENOLOL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:51211
chemicalCompound:activity	activity:36196, activity:43964, activity:43965, activity:43966, activity:43967, activity:46926, activity:48889, activity:48890, activity:48891, activity:101666, activity:101667, activity:101668, activity:101669, activity:105292, activity:105293, activity:105294, activity:105295, activity:105296, activity:134938, activity:134939, activity:134940, activity:134941, activity:134942, activity:134943, activity:178701, activity:178702, activity:178703, activity:204647, activity:231422, activity:231423, activity:319385, activity:438773, activity:438774, activity:438775, activity:555157, activity:555158, activity:575370, activity:575371, activity:575372, activity:575373, activity:607365, activity:607366, activity:607367, activity:607368, activity:692437, activity:692438, activity:692439, activity:715640, activity:752455, activity:752456, activity:762534, activity:762535, activity:762536, activity:762537, activity:762538, activity:762539, activity:762540, activity:829535, activity:835264, activity:849322, activity:849323, activity:849324