|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H12N2O2/c1-2-7-13(8-3-1)19-22-18-14(9-6-12-17(18)24-19)20-21-15-10-4-5-11-16(15)23-20/h1-12H
|
|
chemicalCompound:standardIn... |
BEBACPIIZGRKGG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
o1c(nc2c(cccc12)c3oc4ccccc4n3)c5ccccc5
|
|
chemicalCompound:molecularF... |
C20 H12 N2 O2
|
|
chemicalCompound:moleculeId |
180094
|
|
chemicalCompound:mwFreebase |
312.321
|
|
chemicalCompound:alogp |
4.731
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
52.06
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.543
|
|
chemicalCompound:acdLogD |
4.543
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
312.321
|
|
chemicalCompound:acdMostBpk... |
0.508
|
|
chemicalCompound:chemblId |
CHEMBL113081
|
|
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 |
|
