aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43081 | 2.81 | 296.36 | C15H12ON4S | O=C(Nc1ccc(S)cc1)c1ccc(-n2cccn2)nc1 |
|
AD43082 | 3.26 | 328.37 | C16H13ON4FS | Cc1c(C(=O)Nc2ccc(S)cc2)nnn1-c1ccc(F)cc1 |
|
AD43083 | 1.55 | 343.34 | C18H17O6N | CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)NCCO |
|
AD43084 | 2.3 | 351.13 | C11H8N6I | Cc1ncc(Nc2ncnc3c2C(I)=C[N]3)cn1 |
|
AD43085 | 3.28 | 294.76 | C14H11O2N2ClS | COc1ccc(C(=O)Nc2ccc(S)cc2)c(Cl)n1 |
|
AD43086 | 1.16 | 311.34 | C14H21O5N3 | COc1cncc(NC(=O)OC(C)(C)C)c1C(=O)NCCO |
|
AD43087 | 2.22 | 295.33 | C15H15ON6 | CCN(C)C(=O)c1cccc(Nc2ncnc3c2N=C[N]3)c1 |
|
AD43088 | 2.88 | 327.39 | C15H15ON6S | CCN(C)C(=O)c1cccc(Nc2[nH]c(=S)nc3c2N=C[N]3)c1 |
|
AD43089 | 2.87 | 329.77 | C16H14ON6Cl | CCN(C)C(=O)c1cccc(Nc2nc(Cl)nc3c2N=C[N]3)c1 |
|
AD43090 | 2.25 | 334.36 | C18H16O2N5 | O=C1CCN(C(=O)c2ccc(Nc3ncnc4c3C=C[N]4)cc2)CC1 |