1785

Source:http://linkedlifedata.com/resource/chembl/compound/1785

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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:1785_Labetalol_FDA_ALTERNATIVE_NAME, synonym:1785_Labetalol_INN, synonym:1785_Normodyne_OTHER, synonym:1785_Normozide_OTHER, synonym:1785_Trandate_OTHER, synonym:1785_Trandate_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
chemicalCompound:standardIn...	SGUAFYQXFOLMHL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(=O)N
chemicalCompound:molecularF...	C19H24N2O3
chemicalCompound:moleculeId	1785
chemicalCompound:mwFreebase	328.405
chemicalCompound:alogp	2.355
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	95.58
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.205
chemicalCompound:acdLogP	2.719
chemicalCompound:acdLogD	0.828
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	328.405
chemicalCompound:acdMostBpk...	9.301
chemicalCompound:chemblId	CHEMBL429
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101785
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	LABETALOL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:6343
chemicalCompound:firstAppro...	1984
chemicalCompound:activity	activity:32529, activity:141461, activity:141462, activity:141463, activity:141464, activity:141465, activity:261187, activity:261188, activity:261189, activity:261190, activity:261191, activity:261192, activity:261193, activity:261194, activity:261195, activity:261196, activity:261197, activity:261198, activity:261199, activity:261200, activity:261201, activity:261202, activity:261203, activity:261204, activity:379089, activity:379090, activity:379091, activity:379092, activity:379093, activity:379094, activity:441317, activity:441318, activity:441319, activity:771397, activity:771398, activity:771399, activity:771400, activity:882659, activity:882660, activity:882661, activity:882662, activity:882663, activity:882664, activity:882665, activity:882666, activity:901404, activity:901405, activity:901406, activity:901407, activity:1079218, activity:1217870, activity:1217871, activity:1217872, activity:1217873, activity:1217874, activity:1217875, activity:1217876