|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H10FNO2/c18-17-8-14(21)3-4-15(17)11-5-10-1-2-13(20)7-16(10)12(6-11)9-19/h1-8,20-21H
|
|
chemicalCompound:standardIn... |
TYKGMSWZEALPBQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(c(F)c1)c2cc(C#N)c3cc(O)ccc3c2
|
|
chemicalCompound:molecularF... |
C17 H10 F N O2
|
|
chemicalCompound:moleculeId |
322958
|
|
chemicalCompound:mwFreebase |
279.265
|
|
chemicalCompound:alogp |
3.857
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
64.25
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
8.146
|
|
chemicalCompound:acdLogP |
3.725
|
|
chemicalCompound:acdLogD |
3.608
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
279.265
|
|
chemicalCompound:chemblId |
CHEMBL363634
|
|
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 |
|
