|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H8FN3O/c1-8(15-7-13-6-14-15)11(16)9-2-4-10(12)5-3-9/h2-7H,1H2
|
|
chemicalCompound:standardIn... |
YYHGQTIOEPWXMK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccc(cc1)C(=O)C(=C)n2cncn2
|
|
chemicalCompound:molecularF... |
C11 H8 F N3 O
|
|
chemicalCompound:moleculeId |
53489
|
|
chemicalCompound:mwFreebase |
217.199
|
|
chemicalCompound:alogp |
1.719
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
47.78
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
1.321
|
|
chemicalCompound:acdLogD |
1.321
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
217.199
|
|
chemicalCompound:acdMostBpk... |
1.49
|
|
chemicalCompound:chemblId |
CHEMBL38018
|
|
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 |
|
