|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H16N2O3/c1-24-17-10-15-16(11-18(17)25-2)21-19(22-20(15)23)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,21,22,23)
|
|
chemicalCompound:standardIn... |
ZPTFTBKDCIAKOQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc2nc(nc(O)c2cc1OC)c3ccc4ccccc4c3
|
|
chemicalCompound:molecularF... |
C20 H16 N2 O3
|
|
chemicalCompound:moleculeId |
21821
|
|
chemicalCompound:mwFreebase |
332.353
|
|
chemicalCompound:alogp |
4.18
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
64.47
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
2.633
|
|
chemicalCompound:acdLogP |
3.997
|
|
chemicalCompound:acdLogD |
2.12
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
332.353
|
|
chemicalCompound:acdMostBpk... |
8.396
|
|
chemicalCompound:chemblId |
CHEMBL18974
|
|
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:643996,
activity:643997,
activity:643998,
activity:643999,
activity:644000,
activity:644001,
activity:644002,
activity:644003,
activity:644004,
activity:644005,
activity:644006,
activity:8282801,
activity:8284445,
activity:8329796,
activity:8399718,
activity:8433142,
activity:8457327,
activity:8499408,
activity:8550707,
activity:8591306,
activity:8593817,
activity:8690147,
activity:8778980,
activity:8785275,
activity:8806817,
activity:8808653,
activity:8929698,
activity:8974962,
activity:8990978,
activity:9015437,
activity:9114371,
activity:9134335,
activity:9225576,
activity:9314104,
activity:9324651,
activity:9374911,
activity:9390508,
activity:9458512,
activity:9525363,
activity:9560386,
activity:9693432,
activity:9749298,
activity:9797915,
activity:9824768,
activity:9891414,
activity:9929397,
activity:9962892,
activity:9980345,
activity:9987237,
activity:10104201,
activity:10132300,
activity:10170008,
activity:10212253,
activity:10253865,
activity:10297588,
activity:10357345,
activity:10367881,
activity:10454641,
activity:10479233,
activity:10546129,
activity:10594851,
activity:10610509,
activity:10708464,
activity:10769220,
activity:10783888
|
