|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H19NO4/c1-19(2)14-10-9-12(23-3)11-13(14)17(21)20(18(19)22)15-7-5-6-8-16(15)24-4/h5-11H,1-4H3
|
|
chemicalCompound:standardIn... |
NRDJLWFCYPFRDT-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc2c(c1)C(=O)N(C(=O)C2(C)C)c3ccccc3OC
|
|
chemicalCompound:molecularF... |
C19H19NO4
|
|
chemicalCompound:moleculeId |
979321
|
|
chemicalCompound:mwFreebase |
325.358
|
|
chemicalCompound:alogp |
3.32
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
55.84
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.064
|
|
chemicalCompound:acdLogD |
3.064
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
325.358
|
|
chemicalCompound:chemblId |
CHEMBL1555437
|
|
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 |
|
