aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39491 | 1.93 | 300.26 | C12H13ON5F3 | COC1(C(F)(F)F)CCCN(c2ncnc3c2N=C[N]3)C1 |
|
AD39492 | 1.02 | 302.36 | C14H20ON7 | CC(C)(C)NC(=O)N1CCN(c2ncnc3c2N=C[N]3)CC1 |
|
AD39493 | 2.09 | 263.3 | C12H10ON3FS | O=C(Cc1ncc(F)cn1)Nc1ccc(S)cc1 |
|
AD39494 | 1.79 | 296.31 | C15H14O2N5 | COc1ccc2c(c1)OCCN(c1ncnc3c1N=C[N]3)C2 |
|
AD39495 | 1.45 | 301.33 | C13H11O2N5S | O=C(Nc1ncnc2[nH]c(=O)[nH]c12)C1CC1c1cccs1 |
|
AD39496 | 1.69 | 294.29 | C15H12O2N5 | COC(=O)c1ccc2c(c1)CN(c1ncnc3c1N=C[N]3)C2 |
|
AD39497 | 0.45 | 284.75 | C13H17O2N4Cl | O=C(NCCO)C1CCN(c2cc(Cl)ncn2)CC1 |
|
AD39498 | 1.18 | 306.35 | C14H20O3N5 | COCCN(CC(=O)OC(C)(C)C)c1ncnc2c1N=C[N]2 |
|
AD39499 | 1.95 | 302.36 | C15H20O2N5 | CCOC(=O)CCC1CCN(c2ncnc3c2N=C[N]3)CC1 |
|
AD39500 | 1.95 | 302.36 | C15H20O2N5 | CCOC(=O)CCC1CCCN(c2ncnc3c2N=C[N]3)C1 |