|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H13Br5O5/c1-24-7-5-6(9(18)12(21)15(7)25-2)14(23)8-10(19)13(22)17(27-4)16(26-3)11(8)20/h5H,1-4H3
|
|
chemicalCompound:standardIn... |
GXRNTNZGKHIUAC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc(C(=O)c2c(Br)c(Br)c(OC)c(OC)c2Br)c(Br)c(Br)c1OC
|
|
chemicalCompound:molecularF... |
C17H13Br5O5
|
|
chemicalCompound:moleculeId |
716569
|
|
chemicalCompound:mwFreebase |
696.802
|
|
chemicalCompound:alogp |
6.91
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
53.99
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
2
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.61
|
|
chemicalCompound:acdLogD |
5.61
|
|
chemicalCompound:fullMwt |
696.802
|
|
chemicalCompound:chemblId |
CHEMBL1290156
|
|
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:activity |
|
