aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43231 | 3.12 | 310.38 | C16H14ON4S | Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(S)cc1 |
|
AD43232 | 2.1 | 325.4 | C17H21ON6 | N=c1nc2c(c(N)n1C(=O)CC13CC4CC(CC(C4)C1)C3)N=C[N]2 |
|
AD43233 | 1.77 | 347.31 | C17H11O3N6 | O=C(Nc1ccc(N2C(=O)C=CC2=O)cc1)Nc1ncnc2c1C=C[N]2 |
|
AD43234 | 0.93 | 193.58 | C7H2N6Cl | N#CNc1nc(Cl)nc2c1N=C[N]2 |
|
AD43235 | 3.38 | 329.24 | C11H9ON2S2Br | O=C(Cc1csc(Br)n1)Nc1ccc(S)cc1 |
|
AD43236 | 1.33 | 305.37 | C11H9ON6S2 | CSc1ccc(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)s1 |
|
AD43237 | 3.25 | 319.17 | C10H10ONSI | CC(I)=CC(=O)Nc1ccc(S)cc1 |
|
AD43238 | 3.1 | 318.44 | C17H22O2N2S | O=C(Nc1ccc(S)cc1)C1CC(=O)N(C2CCCCC2)C1 |
|
AD43239 | 2.8 | 324.41 | C17H16ON4S | O=C(Cc1cn(Cc2ccccc2)nn1)Nc1ccc(S)cc1 |
|
AD43240 | 1.99 | 352.37 | C18H18O3N5 | CCOC(=O)C(Cc1ccccc1)NC(=O)Nc1ncnc2c1C=C[N]2 |