22641

Source:http://linkedlifedata.com/resource/chembl/compound/22641

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:22641_Bisbid_TRADE_NAME, synonym:22641_DH-581_RESEARCH_CODE, synonym:22641_Lorelco_TRADE_NAME, synonym:22641_Probucol_BAN, synonym:22641_Probucol_FDA_ALTERNATIVE_NAME, synonym:22641_Probucol_INN, synonym:22641_Probucol_JAN, synonym:22641_Probucol_TRADE_NAME, synonym:22641_Probucol_USAN, synonym:22641_Probucol_USP, synonym:22641_Sinlestal_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3
chemicalCompound:standardIn...	FYPMFJGVHOHGLL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)c1cc(SC(C)(C)Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C
chemicalCompound:molecularF...	C31H48O2S2
chemicalCompound:moleculeId	22641
chemicalCompound:mwFreebase	516.842
chemicalCompound:alogp	9.779
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	91.06
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.266
chemicalCompound:acdLogP	8.998
chemicalCompound:acdLogD	8.998
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	516.842
chemicalCompound:chemblId	CHEMBL608
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:122641
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	PROBUCOL
chemicalCompound:activity	activity:92871, activity:92872, activity:92873, activity:92874, activity:92875, activity:92876, activity:92877, activity:92878, activity:92879, activity:141473, activity:141474, activity:141475, activity:141476, activity:457345, activity:457346, activity:457347, activity:457348, activity:457349, activity:457350, activity:457351, activity:457352, activity:457353, activity:457354, activity:457355, activity:521486, activity:521487, activity:528388, activity:528389, activity:528390, activity:528391, activity:724972, activity:728678, activity:894091, activity:894092, activity:894093, activity:894094, activity:951412, activity:951413, activity:951414, activity:951415, activity:951416, activity:951417, activity:951418, activity:985450, activity:985451, activity:985452, activity:985453, activity:985454, activity:985455, activity:985456, activity:985457, activity:985458, activity:985459, activity:992962, activity:992963