193281

Source:http://linkedlifedata.com/resource/chembl/compound/193281

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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:193281_Tetrabenazine_INN, synonym:193281_Tetrabenazine_USAN, synonym:193281_Xenazine_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
chemicalCompound:standardIn...	MKJIEFSOBYUXJB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
chemicalCompound:molecularF...	C19H27NO3
chemicalCompound:moleculeId	193281
chemicalCompound:mwFreebase	317.423
chemicalCompound:alogp	3.365
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	38.77
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.926
chemicalCompound:acdLogD	2.88
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	317.423
chemicalCompound:acdMostBpk...	6.455
chemicalCompound:chemblId	CHEMBL117785
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:293281
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	Yes
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	TETRABENAZINE
chemicalCompound:firstAppro...	2008
chemicalCompound:activity	activity:353829, activity:353830, activity:353831, activity:375199, activity:375200, activity:375201, activity:2100956, activity:2374086, activity:2922381, activity:2922401, activity:2922421, activity:3109088, activity:3807960, activity:4203840, activity:4522705, activity:4889588, activity:5317884, activity:5318835, activity:5319786, activity:5338396, activity:5359598, activity:5851494, activity:5976151, activity:6178951, activity:6437107, activity:6454723, activity:6861444, activity:6956352, activity:7344259, activity:7445484, activity:7492707, activity:9338226