|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
|
|
chemicalCompound:standardIn... |
SVHOVVJFOWGYJO-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1c(Br)c(Br)c(Br)c(Br)c1Br
|
|
chemicalCompound:molecularF... |
C6HBr5O
|
|
chemicalCompound:moleculeId |
697507
|
|
chemicalCompound:mwFreebase |
488.592
|
|
chemicalCompound:alogp |
5.33
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
20.23
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
4.426
|
|
chemicalCompound:acdLogP |
5.221
|
|
chemicalCompound:acdLogD |
2.469
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
488.592
|
|
chemicalCompound:chemblId |
CHEMBL1235157
|
|
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 |
PENTABROMOPHENOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:3675186,
activity:3685916,
activity:3769452,
activity:3986395,
activity:4072698,
activity:4122626,
activity:4228580,
activity:4308141,
activity:4445636,
activity:4522324,
activity:4670674,
activity:4783967,
activity:4841131,
activity:4896328,
activity:5352564,
activity:5478498,
activity:5524540,
activity:5822510,
activity:6446028,
activity:6471551,
activity:6562464,
activity:6676817,
activity:6739185,
activity:6828764,
activity:6865051,
activity:6885299,
activity:6991491,
activity:6993387,
activity:7005148,
activity:7039498,
activity:7047027,
activity:7048584,
activity:7059200,
activity:7070893,
activity:7202986,
activity:7227489,
activity:7442748,
activity:7457902,
activity:7460814,
activity:10423309
|
