|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H11FN2/c16-13-3-1-12(2-4-13)15-14(7-10-18-15)11-5-8-17-9-6-11/h1-10,18H
|
|
chemicalCompound:standardIn... |
WJDBZZUDGFGXKR-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccc(cc1)c2[nH]ccc2c3ccncc3
|
|
chemicalCompound:molecularF... |
C15H11FN2
|
|
chemicalCompound:moleculeId |
102959
|
|
chemicalCompound:mwFreebase |
238.26
|
|
chemicalCompound:alogp |
3.306
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
28.68
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.562
|
|
chemicalCompound:acdLogD |
3.552
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
238.26
|
|
chemicalCompound:acdMostBpk... |
5.288
|
|
chemicalCompound:chemblId |
CHEMBL66802
|
|
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 |
|
