|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H17NO3/c21-17-7-5-14-6-8-18(22)23-19(14)16(17)12-20-10-9-13-3-1-2-4-15(13)11-20/h1-8,21H,9-12H2
|
|
chemicalCompound:standardIn... |
RNNOXRHIPHLBSA-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc2C=CC(=O)Oc2c1CN3CCc4ccccc4C3
|
|
chemicalCompound:molecularF... |
C19 H17 N O3
|
|
chemicalCompound:moleculeId |
431951
|
|
chemicalCompound:mwFreebase |
307.343
|
|
chemicalCompound:alogp |
3.389
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
49.77
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.996
|
|
chemicalCompound:acdLogP |
2.393
|
|
chemicalCompound:acdLogD |
1.855
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
307.343
|
|
chemicalCompound:chemblId |
CHEMBL406452
|
|
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 |
|
