aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD37471 | 1.78 | 272.33 | C14H18ON5 | C1=Nc2c(ncnc2N2CCOCC3(CCCC3)C2)[N]1 |
|
AD37472 | 1.44 | 281.3 | C14H13ON6 | C1=Nc2c(ncnc2N2CCC(Oc3ccncc3)C2)[N]1 |
|
AD37473 | 0.24 | 286.31 | C14H16O2N5 | NC(=O)C1=C(Nc2cccc(N3CCOCC3)c2)[N]C=N1 |
|
AD37474 | 0.24 | 290.28 | C13H13O2N5F | CN(C)C(=O)c1ccc(F)c(NC2=C(C(N)=O)N=C[N]2)c1 |
|
AD37475 | 1.6 | 289.34 | C12H13ON6S | CC(=O)N1CC=C(Nc2[nH]c(=S)nc3c2N=C[N]3)CC1 |
|
AD37476 | 1.71 | 274.28 | C13H13ON5F | CC(=O)N1CCC(=Nc2ncnc3c2C(F)=C[N]3)CC1 |
|
AD37477 | 1.75 | 291.72 | C13H12ON6Cl | CC(=O)N1CCC(=Nc2nc(Cl)nc3c2N=C[N]3)CC1 |
|
AD37478 | 1.92 | 284.27 | C14H11ON5F | Fc1cccc2c1CN(c1ncnc3c1N=C[N]3)CCO2 |
|
AD37479 | 1.87 | 279.28 | C14H11ON6 | O=C1CCN1c1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD37480 | 0.24 | 290.28 | C13H13O2N5F | CN(C)C(=O)c1ccc(NC2=C(C(N)=O)N=C[N]2)c(F)c1 |