|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C22H17NO3/c1-14(24)15-10-12-16(13-11-15)26-22-17-6-3-4-8-19(17)23-21-18(22)7-5-9-20(21)25-2/h3-13H,1-2H3
|
|
chemicalCompound:standardIn... |
JFVYQHYBFKPLKQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cccc2c(Oc3ccc(cc3)C(=O)C)c4ccccc4nc12
|
|
chemicalCompound:molecularF... |
C22 H17 N O3
|
|
chemicalCompound:moleculeId |
236869
|
|
chemicalCompound:mwFreebase |
343.375
|
|
chemicalCompound:alogp |
4.636
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
48.42
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.724
|
|
chemicalCompound:acdLogD |
4.724
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
343.375
|
|
chemicalCompound:acdMostBpk... |
4.091
|
|
chemicalCompound:chemblId |
CHEMBL142346
|
|
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 |
|
