|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H18N2O4/c1-21-14-9-13(10-15(22-2)17(14)23-3)20-18-19-11-16(24-18)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,20)
|
|
chemicalCompound:standardIn... |
CKYLEUNHWFIYOR-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc(Nc2oc(cn2)c3ccccc3)cc(OC)c1OC
|
|
chemicalCompound:molecularF... |
C18H18N2O4
|
|
chemicalCompound:moleculeId |
298816
|
|
chemicalCompound:mwFreebase |
326.346
|
|
chemicalCompound:alogp |
3.579
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
65.75
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.341
|
|
chemicalCompound:acdLogD |
3.341
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
326.347
|
|
chemicalCompound:acdMostBpk... |
2.532
|
|
chemicalCompound:chemblId |
CHEMBL443563
|
|
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 |
activity:1414223,
activity:1414224,
activity:7317239,
activity:8101289,
activity:8101290,
activity:8101291,
activity:8101292,
activity:8101293,
activity:8101294,
activity:8101295,
activity:8101296,
activity:8101297,
activity:8101298,
activity:8101299,
activity:8101300,
activity:8101301,
activity:8101302,
activity:8101303,
activity:8101304,
activity:8101305,
activity:8101306,
activity:8101307,
activity:8101308,
activity:8101309,
activity:8101310,
activity:8101311,
activity:8101312,
activity:8101313,
activity:8101314,
activity:8101315,
activity:8101316,
activity:8101317,
activity:8101318,
activity:8101319,
activity:8101320,
activity:8101321,
activity:8101322,
activity:8101323,
activity:8101324,
activity:8101325,
activity:8101326,
activity:8101327,
activity:8101328,
activity:8101329,
activity:8101330,
activity:8101331,
activity:8101332,
activity:8101333,
activity:8101334,
activity:8101335,
activity:8101336,
activity:8101337,
activity:8101338,
activity:8101339,
activity:8101340,
activity:8101341,
activity:8101342,
activity:8101343,
activity:8101344,
activity:8101345,
activity:8101346,
activity:8101347,
activity:8101348,
activity:8101349,
activity:8101350,
activity:8101351,
activity:8101352
|
