aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03561 | 4.95 | 464.32 | C22H17N6FBr | Fc1cc(Br)ccc1Cn1cc(CCNc2ncnc3c2N=C[N]3)c2ccccc21 |
|
AD03562 | -0.6 | 353.4 | C15H19O5N3S | O=c1ccn(C2OC(C(O)CNCc3cccs3)CC2O)c(=O)[nH]1 |
|
AD03563 | 6.1 | 557.82 | C34H55O5N | CC1(C)CCC2(C(=O)NCCCC(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1 |
|
AD03564 | 1.41 | 232.27 | C10H14N7 | CC(C)CC=NNc1nc(N)c2c(n1)[N]C=N2 |
|
AD03565 | 1.76 | 90.19 | C4H10S | CSC(C)C |
|
AD03566 | 1.08 | 226.22 | C11H8ON5 | Oc1nc(Cc2cccnc2)nc2c1N=C[N]2 |
|
AD03567 | -1.98 | 179.19 | C6H9N7 | N=C1N=C(N)N=C(N)C2N=CNC12 |
|
AD03568 | 0.18 | 335.45 | C12H21O4N3S2 | CCS(=O)(=O)NC(=O)CCCCC1SCC2NC(=O)NC21 |
|
AD03569 | 1.71 | 415.49 | C22H29O5N3 | O=c1ccn(C2OC(C(O)CNc3ccc(C4CCCCC4)cc3)CC2O)c(=O)[nH]1 |
|
AD03570 | -0.31 | 391.42 | C19H25O6N3 | COc1ccc(CN(C)CC(O)C2CC(O)C(n3ccc(=O)[nH]c3=O)O2)cc1 |