|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H11FN2O2/c1-19-11-8-6-10(7-9-11)14-17-15(20-18-14)12-4-2-3-5-13(12)16/h2-9H,1H3
|
|
chemicalCompound:standardIn... |
DANKTKKLNXAGKW-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1)c2noc(n2)c3ccccc3F
|
|
chemicalCompound:molecularF... |
C15H11FN2O2
|
|
chemicalCompound:moleculeId |
455672
|
|
chemicalCompound:mwFreebase |
270.258
|
|
chemicalCompound:alogp |
3.334
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
48.15
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.517
|
|
chemicalCompound:acdLogD |
3.517
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
270.258
|
|
chemicalCompound:chemblId |
CHEMBL472929
|
|
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 |
activity:2391581,
activity:2391611,
activity:2391668,
activity:2391685,
activity:2391698,
activity:3698015,
activity:3764260,
activity:3813644,
activity:3855909,
activity:3865749,
activity:3954448,
activity:3957910,
activity:4026411,
activity:4093586,
activity:4236976,
activity:4424648,
activity:4716546,
activity:4814710,
activity:4858123,
activity:4882600,
activity:4918979,
activity:5466452,
activity:5551416,
activity:5614248,
activity:5665605,
activity:5912289,
activity:6672137,
activity:6784158,
activity:6903069,
activity:7379810
|
