|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
|
|
chemicalCompound:standardIn... |
NLZUEZXRPGMBCV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
|
|
chemicalCompound:molecularF... |
C15H24O
|
|
chemicalCompound:moleculeId |
38581
|
|
chemicalCompound:mwFreebase |
220.35
|
|
chemicalCompound:alogp |
4.875
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
20.23
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
12.756
|
|
chemicalCompound:acdLogP |
5.168
|
|
chemicalCompound:acdLogD |
5.168
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
220.35
|
|
chemicalCompound:chemblId |
CHEMBL146
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
BUTYLATEDHYDROXYTOLUENE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:35744,
activity:70188,
activity:70189,
activity:70190,
activity:70191,
activity:70192,
activity:72778,
activity:72779,
activity:280955,
activity:280956,
activity:280957,
activity:280958,
activity:437733,
activity:437734,
activity:437735,
activity:472019,
activity:550246,
activity:550247,
activity:550248,
activity:579062,
activity:589896,
activity:589897,
activity:724599,
activity:724600,
activity:724601,
activity:724602,
activity:789557,
activity:789558,
activity:789559,
activity:789560,
activity:789561,
activity:789562,
activity:789563,
activity:789564,
activity:789565,
activity:789566,
activity:789567,
activity:789568,
activity:789569,
activity:806721,
activity:806722,
activity:854281,
activity:854282,
activity:885455,
activity:982636,
activity:982637,
activity:982638,
activity:1272070,
activity:1272071,
activity:1272072,
activity:1459484,
activity:1514111,
activity:1693076,
activity:1693188,
activity:1693198,
activity:1693208,
activity:1693218,
activity:1697360,
activity:1713334,
activity:1797982,
activity:1809248,
activity:1845251
|
