aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD06041 | 2.01 | 338.35 | C16H16O2N7 | O=C(O)c1cnn(-c2nc3c(c(NC45CCC(CC4)C5)n2)N=C[N]3)c1 |
|
AD06042 | 6.92 | 621.57 | C32H28O2N7Cl2S | Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCOc1ccc(Nc3ncnc4c3N=C[N]4)cc1)C2 |
|
AD06043 | 8.09 | 663.66 | C35H34O2N7Cl2S | Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCCCCOc1ccc(Nc3ncnc4c3N=C[N]4)cc1)C2 |
|
AD06044 | 7.7 | 649.63 | C34H32O2N7Cl2S | Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCCCOc1ccc(Nc3ncnc4c3N=C[N]4)cc1)C2 |
|
AD06045 | 1.96 | 245.31 | C12H17N6 | Nc1nc(NCC2CCCCC2)nc2c1N=C[N]2 |
|
AD06046 | 2.99 | 556.7 | C31H44O7N2 | COC1C(O)CC(=O)OC(CC=Cc2cnc3ccccc3c2)CCCN(C)CC(O)C(C)CC(CC=O)C1O |
|
AD06047 | 1.96 | 245.28 | C14H15O3N | C=CC=CC=C(C)C(=O)c1c(O)ccn(C)c1=O |
|
AD06048 | 2.83 | 239.36 | C14H25O2N | CCCC(=O)NCC=CC=C(C)C(CC)OC |
|
AD06049 | 2.24 | 265.73 | C12H14N6Cl | Clc1nc2c(c(NN3CCCCCC3)n1)N=C[N]2 |
|
AD06050 | 5.61 | 352.85 | C20H13ON2ClS | COc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c(=S)c2C#N)cc1 |