aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42801 | 2.66 | 309.35 | C16H17ON6 | CC(C)(C)NC(=O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD42802 | 3.03 | 339.4 | C16H15ON6S | O=C(c1ccc(Nc2[nH]c(=S)nc3c2N=C[N]3)cc1)N1CCCC1 |
|
AD42803 | 3.27 | 341.42 | C16H17ON6S | CCN(CC)C(=O)c1cccc(Nc2[nH]c(=S)nc3c2N=C[N]3)c1 |
|
AD42804 | 2.76 | 321.36 | C17H17ON6 | O=C(c1cccc(Nc2ncnc3c2N=C[N]3)c1)N1CCCCC1 |
|
AD42805 | 2.92 | 329.77 | C16H14ON6Cl | CC(C)NC(=O)c1ccc(Nc2nc(Cl)nc3c2N=C[N]3)cc1 |
|
AD42806 | 2.21 | 346.17 | C13H10ON6Br | CNC(=O)c1cccc(Nc2ncnc3c2N=C(Br)[N]3)c1 |
|
AD42807 | 2.37 | 307.34 | C16H15ON6 | O=C(c1cccc(Nc2ncnc3c2N=C[N]3)c1)N1CCCC1 |
|
AD42808 | 3.03 | 339.4 | C16H15ON6S | O=C(c1cccc(Nc2[nH]c(=S)nc3c2N=C[N]3)c1)N1CCCC1 |
|
AD42809 | 2.61 | 309.35 | C16H17ON6 | CCN(CC)C(=O)c1cccc(Nc2ncnc3c2N=C[N]3)c1 |
|
AD42810 | 2.66 | 309.35 | C16H17ON6 | CCCCNC(=O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1 |