|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H11NO2/c18-16-12(10-17-13-6-2-1-3-7-13)11-19-15-9-5-4-8-14(15)16/h1-11H/b17-10+
|
|
chemicalCompound:standardIn... |
NCOIADJNURDGBZ-LICLKQGHSA-N
|
|
chemicalCompound:canonicalS... |
O=C1C(=COc2ccccc12)\C=N\c3ccccc3
|
|
chemicalCompound:molecularF... |
C16H11NO2
|
|
chemicalCompound:moleculeId |
699785
|
|
chemicalCompound:mwFreebase |
249.264
|
|
chemicalCompound:alogp |
2.837
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
38.65
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.851
|
|
chemicalCompound:acdLogD |
2.851
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
249.264
|
|
chemicalCompound:acdMostBpk... |
2.839
|
|
chemicalCompound:chemblId |
CHEMBL1240576
|
|
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 |
|
