aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43541 | 2.87 | 310.38 | C16H14ON4S | O=C(Nc1ccc(S)cc1)c1cn(Cc2ccccn2)cn1 |
|
AD43542 | 1.42 | 324.18 | C13H14O2N3Br | O=C(NCCO)c1cncn1Cc1cccc(Br)c1 |
|
AD43543 | 2.78 | 303.39 | C15H17O2N3S | O=C(Nc1ccc(S)cc1)c1cn(C2CCOCC2)cn1 |
|
AD43544 | 2.5 | 283.34 | C13H11N6S | Cc1ccccc1NC(=S)Nc1ncnc2c1N=C[N]2 |
|
AD43545 | 2.36 | 343.77 | C17H14O2N5Cl | O=C(Nc1ncnc2[nH]c(=O)[nH]c12)C1(c2cccc(Cl)c2)CCC1 |
|
AD43546 | 2.27 | 341.78 | C17H14ON6Cl | N=c1nc2c(c(N)n1C(=O)C1(c3cccc(Cl)c3)CCC1)N=C[N]2 |
|
AD43547 | 3.39 | 331.44 | C17H21O2N3S | Cc1nn(C2CCOCC2)c(C)c1C(=O)Nc1ccc(S)cc1 |
|
AD43548 | 2.93 | 301.37 | C16H15O3NS | COc1ccc2c(c1)CC(C(=O)Nc1ccc(S)cc1)O2 |
|
AD43549 | 2.42 | 313.38 | C16H15O2N3S | Cn1c(=O)n(C)c2cc(C(=O)Nc3ccc(S)cc3)ccc21 |
|
AD43550 | 2.34 | 340.23 | C11H12N6SBr | S=C(Nc1ncnc2c1N=C(Br)[N]2)NC1CCCC1 |