aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39271 | 1.59 | 297.33 | C12H9N8S | Cc1cc(C)n2nc(Sc3ncnc4c3N=C[N]4)nc2n1 |
|
AD39272 | 1.68 | 313.32 | C15H14ON6F | Cc1ccc(C(=O)NCCNc2ncnc3c2N=C[N]3)cc1F |
|
AD39273 | 1.79 | 312.31 | C15H14O3N5 | COC(=O)c1cc(CNc2ncnc3c2N=C[N]3)ccc1OC |
|
AD39274 | 1.54 | 295.33 | C15H15ON6 | Cc1cccc(C(=O)NCCNc2ncnc3c2N=C[N]3)c1 |
|
AD39275 | 1.48 | 300.37 | C13H14N7S | Cc1csc(N2CCN(c3ncnc4c3N=C[N]4)CC2)n1 |
|
AD39276 | 1.91 | 298.33 | C15H16O2N5 | COc1ccc(OCCN(C)c2ncnc3c2N=C[N]3)cc1 |
|
AD39277 | 1.63 | 315.37 | C11H7N8S2 | C1=Nc2c(ncnc2Sc2nnnn2Cc2cccs2)[N]1 |
|
AD39278 | 1.27 | 302.34 | C13H12O2N5S | O=S(=O)(CCNc1ncnc2c1N=C[N]2)c1ccccc1 |
|
AD39279 | 1.86 | 294.34 | C15H16N7 | C1=Nc2c(ncnc2NC2CCN(c3ccccn3)CC2)[N]1 |
|
AD39280 | 1.68 | 299.28 | C12H14N6F3 | FC(F)(F)CN1CCC(CNc2ncnc3c2N=C[N]3)C1 |