20027

Source:http://linkedlifedata.com/resource/chembl/compound/20027

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:20027_Avandamet_OTHER, synonym:20027_Avandaryl_OTHER, synonym:20027_Avandia_OTHER, synonym:20027_Avandia_TRADE_NAME, synonym:20027_BRL-49653_RESEARCH_CODE, synonym:20027_Rosiglitazone_FDA_ALTERNATIVE_NAME, synonym:20027_Rosiglitazone_INN
chemicalCompound:standardIn...	InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
chemicalCompound:standardIn...	YASAKCUCGLMORW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c3ccccn3
chemicalCompound:molecularF...	C18H19N3O3S
chemicalCompound:moleculeId	20027
chemicalCompound:mwFreebase	357.427
chemicalCompound:alogp	2.648
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	96.83
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.343
chemicalCompound:acdLogP	3.023
chemicalCompound:acdLogD	1.928
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	357.427
chemicalCompound:acdMostBpk...	6.503
chemicalCompound:chemblId	CHEMBL121
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:120027
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ROSIGLITAZONE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:50122
chemicalCompound:firstAppro...	1999
chemicalCompound:activity	activity:106526, activity:106527, activity:108780, activity:108781, activity:108782, activity:108783, activity:108784, activity:108785, activity:108786, activity:108787, activity:108788, activity:108789, activity:108790, activity:108791, activity:223569, activity:223570, activity:240054, activity:240055, activity:338206, activity:338207, activity:338208, activity:338209, activity:338210, activity:375381, activity:375382, activity:470033, activity:470034, activity:470035, activity:470036, activity:470037, activity:470038, activity:470039, activity:470040, activity:470041, activity:470042, activity:470043, activity:470044, activity:470045, activity:470046, activity:480245, activity:480246, activity:480247, activity:480248, activity:480249, activity:480250, activity:480251, activity:522617, activity:522618, activity:522619, activity:522620, activity:523987, activity:523988, activity:537717, activity:537718, activity:537719, activity:537720