666

Source:http://linkedlifedata.com/resource/chembl/compound/666

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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:666_CI-991_RESEARCH_CODE, synonym:666_CS-045_RESEARCH_CODE, synonym:666_GR-92132X_RESEARCH_CODE, synonym:666_Prelay_TRADE_NAME, synonym:666_Rezulin_OTHER, synonym:666_Rezulin_TRADE_NAME, synonym:666_Troglitazone_BAN, synonym:666_Troglitazone_FDA_ALTERNATIVE_NAME, synonym:666_Troglitazone_INN, synonym:666_Troglitazone_USAN
chemicalCompound:standardIn...	InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)
chemicalCompound:standardIn...	GXPHKUHSUJUWKP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1c(C)c2OC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)CCc2c(C)c1O
chemicalCompound:molecularF...	C24H27NO5S
chemicalCompound:moleculeId	666
chemicalCompound:mwFreebase	441.54
chemicalCompound:alogp	5.682
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	110.16
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.345
chemicalCompound:acdLogP	4.691
chemicalCompound:acdLogD	3.646
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	441.54
chemicalCompound:chemblId	CHEMBL408
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100666
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	TROGLITAZONE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:9753
chemicalCompound:firstAppro...	1997
chemicalCompound:activity	activity:240962, activity:240963, activity:240964, activity:243259, activity:243260, activity:243261, activity:243262, activity:243263, activity:243264, activity:356567, activity:356568, activity:366401, activity:366402, activity:366403, activity:366404, activity:374091, activity:374092, activity:376279, activity:376280, activity:381013, activity:465368, activity:465369, activity:465370, activity:465371, activity:469196, activity:469197, activity:469198, activity:469199, activity:469200, activity:469201, activity:469202, activity:469203, activity:469204, activity:469205, activity:472020, activity:472021, activity:510271, activity:510272, activity:513982, activity:513983, activity:513984, activity:513985, activity:513986, activity:513987, activity:542470, activity:542471, activity:542472, activity:542473, activity:549871, activity:549872, activity:549873, activity:549874, activity:549875, activity:576503