aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05111 | -0.06 | 179.16 | C6H7ON6 | CONc1nc(N)c2c(n1)[N]C=N2 |
|
AD05112 | -0.33 | 150.12 | C5H4ON5 | Nc1nc(O)nc2c1N=C[N]2 |
|
AD05113 | -1.08 | 224.24 | C6H12O5N2S | COS(=O)(=O)NC(=O)N1CCOCC1 |
|
AD05114 | 2.33 | 389.44 | C21H21O2N6 | O=C(Cc1cccc2ccccc12)NCCOCCNc1ncnc2c1N=C[N]2 |
|
AD05115 | 8.04 | 400.69 | C28H48O | COC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1 |
|
AD05116 | 7.15 | 454.7 | C30H46O3 | CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC=C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD05117 | 2.04 | 361.84 | C16H14ON6ClS | Nc1ncnc2c1N=C(SCC(=O)NCCc1cccc(Cl)c1)[N]2 |
|
AD05118 | 2.41 | 395.39 | C16H14ON6F3S | Nc1ncnc2c1N=C(SCC(=O)NCCc1ccc(C(F)(F)F)cc1)[N]2 |
|
AD05119 | 5.16 | 638.82 | C40H42O2N6 | C=C1c2c(C)nn(-c3ccc(C#CCO)cc3)c2N(C)C23CC1C1(C)c4c(C)nn(-c5ccc(C#CCO)cc5)c4N(C)C(C)(CC12)C3 |
|
AD05120 | 1.75 | 266.69 | C12H11O2N4Cl | O=C(O)NCc1cn(Cc2ccccc2Cl)nn1 |