|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H9FN2O4/c16-10-3-4-12(19)11(6-10)14(20)9-7-17-18(8-9)15(21)13-2-1-5-22-13/h1-8,19H
|
|
chemicalCompound:standardIn... |
FMCSLJPHSDSAOZ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(F)cc1C(=O)c2cnn(c2)C(=O)c3occc3
|
|
chemicalCompound:molecularF... |
C15H9FN2O4
|
|
chemicalCompound:moleculeId |
818436
|
|
chemicalCompound:mwFreebase |
300.241
|
|
chemicalCompound:alogp |
2.691
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
85.33
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.214
|
|
chemicalCompound:acdLogP |
2.369
|
|
chemicalCompound:acdLogD |
1.966
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
300.241
|
|
chemicalCompound:chemblId |
CHEMBL1394552
|
|
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 |
|
