aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22561 | 1.09 | 210.22 | C11H8N5 | Nc1ncnc2c1C(c1cccnc1)=C[N]2 |
|
AD22562 | 1.3 | 257.3 | C11H9N6S | Nc1ncnc2c1C(SCc1ccccn1)=N[N]2 |
|
AD22563 | 3.16 | 541.73 | C28H45O8S | CC(C)C(C)C(O)C1OC2CC3C4CC(O)C5CC(OS(=O)(=O)[O-])CCC5(C)C4=CCC3(C)C2C1(C)O |
|
AD22564 | -1.12 | 160.17 | C6H12O3N2 | CC(N)C(=O)N(C)CC(=O)O |
|
AD22565 | 2.11 | 368.39 | C20H20O5N2 | CNC(=O)C(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 |
|
AD22566 | 9.24 | 692.78 | C39H54O3N3Br | CC1(C)CCC2(C(=O)OCc3cn(-c4ccc(Br)cc4)nn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD22567 | 2.12 | 228.23 | C12H9N4F | Nc1ncnn2ccc(-c3ccc(F)cc3)c12 |
|
AD22568 | 5.34 | 423.6 | C27H37O3N | COc1ccc(Cc2ccc(C=CC(C)(C)C(=O)NC(C)(C)CO)cc2)c(C(C)C)c1 |
|
AD22569 | 6.1 | 1355.14 | C67H53O20N7Cl2S | Cc1ccc(S(=O)(=O)NC2C(=O)NC3Cc4ccc(c(Cl)c4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC(O)C5NC(=O)C(NC3=O)c3cc(O)cc(c3)Oc3cc2ccc3O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)O)NC4=O)cc1 |
|
AD22570 | 4.86 | 284.79 | C18H17N2Cl | CC(C)n1cc2cc(Cc3ccccc3Cl)ccc2n1 |