aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35701 | 2.79 | 242.29 | C11H8N5S | S=c1nc2c(c(Nc3ccccc3)[nH]1)N=C[N]2 |
|
AD35702 | 2.93 | 260.28 | C11H7N5FS | Fc1ccc(Nc2[nH]c(=S)nc3c2N=C[N]3)cc1 |
|
AD35703 | 2.92 | 262.65 | C12H6N5FCl | Fc1ccccc1Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD35704 | 2.59 | 257.25 | C13H10ON4F | COc1ccc(Nc2ncnc3c2C=C[N]3)cc1F |
|
AD35705 | 2.85 | 248.32 | C9H6N5S2 | S=c1nc2c(c(Nc3ccsc3)[nH]1)N=C[N]2 |
|
AD35706 | 2.18 | 245.65 | C11H6N6Cl | Clc1nc2c(c(Nc3cccnc3)n1)N=C[N]2 |
|
AD35707 | 2.75 | 257.25 | C13H10ON4F | COc1ccccc1Nc1ncnc2c1C(F)=C[N]2 |
|
AD35708 | 3.14 | 215.25 | C13H13O2N | COc1cccc(Nc2ccc(O)cc2)c1 |
|
AD35709 | 3.14 | 215.25 | C13H13O2N | COc1ccccc1Nc1ccc(O)cc1 |
|
AD35710 | 2.33 | 252.26 | C13H10ON5 | CC(=O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1 |