aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43401 | 2.91 | 355.17 | C11H6ON5FSBr | Cc1sc(Br)cc1C(=O)Nc1nc(F)nc2c1N=C[N]2 |
|
AD43402 | 2.03 | 354.19 | C11H8O2N5SBr | Cc1sc(Br)cc1C(=O)Nc1ncnc2[nH]c(=O)[nH]c12 |
|
AD43403 | 2.67 | 335.78 | C14H9N6FClS | Fc1nc2c(c(NC(=S)NCc3cccc(Cl)c3)n1)N=C[N]2 |
|
AD43404 | 1.48 | 319.38 | C16H17O4NS | CS(=O)(=O)c1ccc(-c2ccccc2C(=O)NCCO)cc1 |
|
AD43405 | 3.22 | 299.36 | C15H13O2N3S | Cn1cccc1-c1cc(C(=O)Nc2ccc(S)cc2)no1 |
|
AD43406 | 2.34 | 317.33 | C13H10ON6FS | COc1cccc(NC(=S)Nc2nc(F)nc3c2N=C[N]3)c1 |
|
AD43407 | 2.2 | 299.34 | C13H11ON6S | COc1cccc(NC(=S)Nc2ncnc3c2N=C[N]3)c1 |
|
AD43408 | 2.86 | 333.78 | C14H10ON6ClS | COc1cccc(NC(=S)Nc2nc(Cl)nc3c2N=C[N]3)c1 |
|
AD43409 | 1.62 | 321.36 | C17H17ON6 | N=c1nc2c(c(N)n1C(=O)Cc1ccc3c(c1)CCCC3)N=C[N]2 |
|
AD43410 | 1.71 | 323.36 | C17H17O2N5 | O=C(Cc1ccc2c(c1)CCCC2)Nc1ncnc2[nH]c(=O)[nH]c12 |