aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35981 | 2.92 | 262.66 | C12H6N5FCl | Fc1nc2c(c(Nc3ccc(Cl)cc3)n1)N=C[N]2 |
|
AD35982 | 2.04 | 261.67 | C12H8ON5Cl | O=c1[nH]c2ncnc(Nc3ccc(Cl)cc3)c2[nH]1 |
|
AD35983 | 2.27 | 267.29 | C14H13ON5 | O=c1[nH]c2ncnc(Nc3cccc(C4CC4)c3)c2[nH]1 |
|
AD35984 | 2.14 | 240.25 | C12H10ON5 | Cc1cccc(Nc2ncnc3c2N=C[N]3)c1O |
|
AD35985 | 2.0 | 248.31 | C12H18ON5 | CC(C)(C)OCCCNc1ncnc2c1N=C[N]2 |
|
AD35986 | 1.6 | 244.29 | C14H16O2N2 | Cc1ccc2c(C=CC(=O)NCCO)c[nH]c2c1 |
|
AD35987 | 1.99 | 260.25 | C12H11ON5F | CC=C(C)C=CC(=O)Nc1nc(F)nc2c1N=C[N]2 |
|
AD35988 | 1.55 | 231.25 | C13H13O3N | O=C(C=Cc1cc2ccccc2o1)NCCO |
|
AD35989 | 2.48 | 237.32 | C12H15O2NS | CC1CCC(C(=O)Nc2ccc(S)cc2)O1 |
|
AD35990 | 2.04 | 262.27 | C12H13ON5F | CCC1(C(=O)Nc2nc(F)nc3c2N=C[N]3)CCC1 |