|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H10Br2O9/c1-23-13-9(19)7-5(11-15(13)27-3-25-11)6-8(18(22)29-17(7)21)10(20)14(24-2)16-12(6)26-4-28-16/h3-4H2,1-2H3
|
|
chemicalCompound:standardIn... |
VBZIRPRFNTUZEO-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1c(Br)c2C(=O)OC(=O)c3c(Br)c(OC)c4OCOc4c3c2c5OCOc15
|
|
chemicalCompound:molecularF... |
C18 H10 Br2 O9
|
|
chemicalCompound:moleculeId |
167284
|
|
chemicalCompound:mwFreebase |
530.075
|
|
chemicalCompound:alogp |
3.822
|
|
chemicalCompound:hba |
9
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
98.75
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.751
|
|
chemicalCompound:acdLogD |
2.751
|
|
chemicalCompound:fullMwt |
530.075
|
|
chemicalCompound:chemblId |
CHEMBL102654
|
|
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 |
|
