|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H11BrN2O3/c14-9-2-4-10(5-3-9)16-15-7-8-1-6-11(17)13(19)12(8)18/h1-7,16-19H/b15-7+
|
|
chemicalCompound:standardIn... |
QIWWMITWDUPQPB-VIZOYTHASA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(\C=N\Nc2ccc(Br)cc2)c(O)c1O
|
|
chemicalCompound:molecularF... |
C13 H11 Br N2 O3
|
|
chemicalCompound:moleculeId |
108628
|
|
chemicalCompound:mwFreebase |
323.142
|
|
chemicalCompound:alogp |
3.471
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
4
|
|
chemicalCompound:psa |
85.08
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
8.424
|
|
chemicalCompound:acdLogP |
4.836
|
|
chemicalCompound:acdLogD |
4.726
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
323.142
|
|
chemicalCompound:acdMostBpk... |
0.975
|
|
chemicalCompound:chemblId |
CHEMBL305252
|
|
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 |
|
