49506

Source:http://linkedlifedata.com/resource/chembl/compound/49506

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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:49506_Trolox_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)
chemicalCompound:standardIn...	GLEVLJDDWXEYCO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)O
chemicalCompound:molecularF...	C14H18O4
chemicalCompound:moleculeId	49506
chemicalCompound:mwFreebase	250.29
chemicalCompound:alogp	3.489
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	66.76
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.346
chemicalCompound:acdLogP	2.46
chemicalCompound:acdLogD	-1.108
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	250.29
chemicalCompound:chemblId	CHEMBL153
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:149506
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	TROLOX
chemicalCompound:activity	activity:84385, activity:101912, activity:101913, activity:162396, activity:162397, activity:162398, activity:162399, activity:162400, activity:293377, activity:293378, activity:293379, activity:453104, activity:453105, activity:545527, activity:545528, activity:545529, activity:579032, activity:660646, activity:660647, activity:726183, activity:726184, activity:808698, activity:808699, activity:808700, activity:808701, activity:870690, activity:870691, activity:870692, activity:889700, activity:889701, activity:975746, activity:998951, activity:998952, activity:1037684, activity:1037685, activity:1037686, activity:1037687, activity:1037688, activity:1135893, activity:1211830, activity:1211831, activity:1211832, activity:1211833, activity:1211834, activity:1269715, activity:1291473, activity:1291474, activity:1291475, activity:1305475, activity:1305476, activity:1430106, activity:1479457, activity:1479458, activity:1479459, activity:1479460, activity:1479461, activity:1482559, activity:1482560, activity:1661280, activity:1661288, activity:1661296, activity:1671570, activity:1671589, activity:1712470, activity:1712503