aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43641 | 3.18 | 324.41 | C17H16ON4S | Cc1cc(C(=O)Nc2ccc(S)cc2)nn1Cc1ccccn1 |
|
AD43642 | 3.11 | 316.38 | C16H16O3N2S | CCOC(=O)c1cnc(C)c(C(=O)Nc2ccc(S)cc2)c1 |
|
AD43643 | 2.73 | 318.42 | C18H26O3N2 | CC(C)(C)OC(=O)N1CCCC(Cc2ccccc2)(C(N)=O)C1 |
|
AD43644 | 2.12 | 325.37 | C17H19O2N5 | CCc1ccc(C(C)(C)C(=O)Nc2ncnc3[nH]c(=O)[nH]c23)cc1 |
|
AD43645 | 2.03 | 323.38 | C17H19ON6 | CCc1ccc(C(C)(C)C(=O)n2c(N)c3c(nc2=N)[N]C=N3)cc1 |
|
AD43646 | 2.14 | 348.44 | C19H28O4N2 | CC(C)(C)OC(=O)N1CC(C(=O)NCCO)CC(c2ccccc2)C1 |
|
AD43647 | 1.93 | 309.35 | C16H17ON6 | CC(C)C(C(=O)n1c(N)c2c(nc1=N)[N]C=N2)c1ccccc1 |
|
AD43648 | 1.46 | 320.39 | C17H24O4N2 | CC(C)(C)OC(=O)NC1(C(=O)NCCO)CCc2ccccc21 |
|
AD43649 | 2.31 | 349.2 | C11H7N7SBr | S=C(Nc1cccnc1)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD43650 | 2.53 | 358.4 | C16H16O3N5S | COc1cc(NC(=S)Nc2ncnc3c2C=C[N]3)cc(OC)c1OC |