|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H9FN2O2/c19-16-6-11(2-4-17(16)22)10-1-3-13-14(5-10)12(8-20)7-18(23)15(13)9-21/h1-7,22-23H
|
|
chemicalCompound:standardIn... |
SIZISAONCQJXPH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(cc1F)c2ccc3c(C#N)c(O)cc(C#N)c3c2
|
|
chemicalCompound:molecularF... |
C18 H9 F N2 O2
|
|
chemicalCompound:moleculeId |
323025
|
|
chemicalCompound:mwFreebase |
304.275
|
|
chemicalCompound:alogp |
3.736
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
88.04
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
5.407
|
|
chemicalCompound:acdLogP |
4.277
|
|
chemicalCompound:acdLogD |
2.216
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
304.275
|
|
chemicalCompound:chemblId |
CHEMBL371564
|
|
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 |
|
