aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04781 | 6.14 | 799.08 | C40H42O4N6S4 | CSCCNC(=S)NCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCCNC(=S)NCCSC)C5=O |
|
AD04782 | 2.47 | 242.27 | C15H14O3 | O=C(O)Cc1cccc(-c2cccc(CO)c2)c1 |
|
AD04783 | 4.24 | 1255.05 | C63H53O17N9Cl2 | CNCCNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD04784 | 2.11 | 318.42 | C18H26O3N2 | COCC(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1 |
|
AD04785 | 1.99 | 389.85 | C18H19N8FCl | Nc1nc(NCCN2CCN(c3ccc(Cl)cc3F)CC2)nc2c1N=C[N]2 |
|
AD04786 | 1.3 | 324.37 | C16H18ON7 | COc1ccc(N2CCN(c3nc(N)c4c(n3)[N]C=N4)CC2)cc1 |
|
AD04787 | 3.42 | 1215.62 | C61H59O18N8Cl | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(-c4ccccc4OC)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD04788 | 1.96 | 416.31 | C17H20N8Br | Nc1nc(NCCN2CCN(c3ccc(Br)cc3)CC2)nc2c1N=C[N]2 |
|
AD04789 | -1.53 | 190.2 | C6H14O3N4 | NC(=NO)NCCCC(N)C(=O)O |
|
AD04790 | -3.12 | 445.83 | C19H22O9N2Cl | CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CNC(=O)c1ccc(Cl)cc1 |