|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C22H13NO3/c23-12-14-9-7-13(8-10-14)11-17-15-3-1-5-18(24)20(15)22(26)21-16(17)4-2-6-19(21)25/h1-11,24-25H
|
|
chemicalCompound:standardIn... |
SLKLLNQYWRTDGS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1cccc2C(=Cc3ccc(cc3)C#N)c4cccc(O)c4C(=O)c12
|
|
chemicalCompound:molecularF... |
C22 H13 N O3
|
|
chemicalCompound:moleculeId |
217918
|
|
chemicalCompound:mwFreebase |
339.344
|
|
chemicalCompound:alogp |
4.263
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
81.32
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.937
|
|
chemicalCompound:acdLogP |
4.649
|
|
chemicalCompound:acdLogD |
3.96
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
339.344
|
|
chemicalCompound:chemblId |
CHEMBL130728
|
|
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 |
|
