aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39681 | 1.25 | 298.31 | C14H13N7F | Fc1ccc(N2CCN(c3ncnc4c3N=C[N]4)CC2)nc1 |
|
AD39682 | 1.73 | 293.31 | C15H13ON6 | O=C1CCN1c1cccc(CNc2ncnc3c2N=C[N]3)c1 |
|
AD39683 | 1.73 | 307.34 | C16H15ON6 | CC(Nc1ncnc2c1N=C[N]2)C(=O)N1Cc2ccccc2C1 |
|
AD39684 | 1.88 | 292.39 | C13H18ON5S | CCS(=O)C1CCCC(Nc2ncnc3c2N=C[N]3)C1 |
|
AD39685 | 1.71 | 292.22 | C10H10ON5F4 | FC(F)C(F)(F)COCCNc1ncnc2c1N=C[N]2 |
|
AD39686 | 1.83 | 305.32 | C15H13N8 | C1=Nc2c(ncnc2NCCc2nc(-c3ccccc3)n[nH]2)[N]1 |
|
AD39687 | 1.77 | 310.26 | C12H11N7F3 | CN(Cc1cn(C)nc1C(F)(F)F)c1ncnc2c1N=C[N]2 |
|
AD39688 | 1.42 | 254.23 | C11H8ON7 | O=C(Nc1cccnc1)Nc1ncnc2c1N=C[N]2 |
|
AD39689 | 1.5 | 297.35 | C14H17N8 | Cc1cc(N2CCC(Nc3ncnc4c3N=C[N]4)CC2)n[nH]1 |
|
AD39690 | 0.55 | 284.26 | C13H14O3N2F2 | CC(=O)NC(=Cc1cc(F)ccc1F)C(=O)NCCO |