aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42871 | 2.44 | 351.13 | C11H8N6I | Cc1cncc(Nc2nc(I)nc3c2N=C[N]3)c1 |
|
AD42872 | 2.25 | 353.15 | C11H10N6I | Cc1cc(Nc2ncnc3c2C(I)=C[N]3)n(C)n1 |
|
AD42873 | 2.44 | 352.12 | C11H7ON5I | Oc1cccc(Nc2nc(I)nc3c2N=C[N]3)c1 |
|
AD42874 | 2.65 | 281.3 | C14H13ON6 | Cc1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1C |
|
AD42875 | 2.69 | 296.31 | C15H14O2N5 | CC(C)OC(=O)c1cccc(Nc2ncnc3c2N=C[N]3)c1 |
|
AD42876 | 2.62 | 365.16 | C12H10N6I | Cc1ccc(Nc2nc(I)nc3c2N=C[N]3)cc1N |
|
AD42877 | 2.74 | 318.16 | C12H10N6Br | Cc1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1N |
|
AD42878 | 3.29 | 300.38 | C16H16O2N2S | CC1(C)COc2cnc(C(=O)Nc3ccc(S)cc3)cc21 |
|
AD42879 | 1.89 | 352.12 | C11H7ON5I | O=c1cccc(Nc2ncnc3c2C(I)=C[N]3)[nH]1 |
|
AD42880 | 2.28 | 323.38 | C17H19ON6 | CCCCCc1ccc(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)cc1 |