aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42901 | 2.19 | 343.13 | C8H4N6SI | Ic1nc2c(c(Nc3cncs3)n1)N=C[N]2 |
|
AD42902 | 2.59 | 351.21 | C12H9ON5SBr | CS(=O)c1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1 |
|
AD42903 | 2.66 | 342.15 | C9H5N5SI | IC1=C[N]c2ncnc(Nc3cncs3)c21 |
|
AD42904 | 3.19 | 314.41 | C17H18O2N2S | O=C(c1ccc(Nc2ccc(S)cc2)cc1)N1CCOCC1 |
|
AD42905 | 2.95 | 288.37 | C15H16O2N2S | COc1cccnc1CCC(=O)Nc1ccc(S)cc1 |
|
AD42906 | 2.61 | 298.34 | C17H18O3N2 | O=C(c1ccc(Nc2ccc(O)cc2)cc1)N1CCOCC1 |
|
AD42907 | 3.2 | 315.37 | C13H11O2NF2S2 | O=S(=O)(Cc1cccc(F)c1F)Nc1ccc(S)cc1 |
|
AD42908 | 2.34 | 319.14 | C12H9ON5Br | OCc1cccc(Nc2ncnc3c2N=C(Br)[N]3)c1 |
|
AD42909 | 2.7 | 365.15 | C13H10ON4I | OCc1cccc(Nc2ncnc3c2C(I)=C[N]3)c1 |
|
AD42910 | 2.23 | 366.14 | C12H9ON5I | OCc1cccc(Nc2nc(I)nc3c2N=C[N]3)c1 |