aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43241 | 1.67 | 324.18 | C13H14O2N3Br | Cc1c(C(=O)NCCO)cnn1-c1ccc(Br)cc1 |
|
AD43242 | 2.93 | 345.77 | C16H14O2N6Cl | COc1cccc(C(C)NC(=O)Nc2nc(Cl)nc3c2N=C[N]3)c1 |
|
AD43243 | 2.28 | 311.33 | C15H15O2N6 | COc1cccc(C(C)NC(=O)Nc2ncnc3c2N=C[N]3)c1 |
|
AD43244 | 3.31 | 334.44 | C17H22O3N2S | CC(C)(C)OC(=O)N1C(C(=O)Nc2ccc(S)cc2)CC2CC21 |
|
AD43245 | 2.22 | 342.4 | C16H16O2N5S | O=S(=O)(c1ccccc1Nc1ncnc2c1C=C[N]2)N1CCCC1 |
|
AD43246 | 2.85 | 327.76 | C16H12ON6Cl | O=C(Nc1nc(Cl)nc2c1N=C[N]2)NC1CCc2ccccc21 |
|
AD43247 | 2.19 | 293.31 | C15H13ON6 | O=C(Nc1ncnc2c1N=C[N]2)NC1CCc2ccccc21 |
|
AD43248 | 2.7 | 292.34 | C14H13O2N2FS | COc1cnc(F)c(CC(=O)Nc2ccc(S)cc2)c1 |
|
AD43249 | 1.16 | 311.34 | C14H21O5N3 | COc1cc(C(=O)NCCO)c(NC(=O)OC(C)(C)C)cn1 |
|
AD43250 | 1.58 | 313.07 | C9H8O2N2F3Br | O=C(NCCO)c1cc(Br)cnc1C(F)(F)F |