aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42641 | 2.15 | 333.13 | C11H7ON7Br | O=C(Nc1cccnc1)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD42642 | 1.53 | 334.79 | C16H17O2N5Cl | CCN(CC)C(=O)c1cc(NC2=C(C(N)=O)N=C[N]2)ccc1Cl |
|
AD42643 | 3.24 | 307.42 | C16H21O3NS | CC1(C(=O)Nc2ccc(S)cc2)CCC2(CC1)OCCO2 |
|
AD42644 | 0.57 | 137.14 | C6H7ON3 | NC(=O)Nc1cccnc1 |
|
AD42645 | 1.66 | 312.41 | C16H28O4N2 | CC(C)(C)OC(=O)N1C2CCC1CC(CC(=O)NCCO)C2 |
|
AD42646 | 2.52 | 293.31 | C15H13ON6 | O=C(Nc1ccc2c(c1)CCC2)Nc1ncnc2c1N=C[N]2 |
|
AD42647 | 3.32 | 301.37 | C16H15O3NS | COC(=O)c1ccc(C(=O)Nc2ccc(S)cc2)c(C)c1 |
|
AD42648 | 2.63 | 306.99 | C9H9ONBr2 | NC(=O)CCc1cc(Br)cc(Br)c1 |
|
AD42649 | 2.57 | 364.16 | C13H9ON6FBr | O=C(NCc1cccc(F)c1)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD42650 | 2.5 | 319.71 | C14H9ON6FCl | O=C(NCc1cccc(F)c1)Nc1nc(Cl)nc2c1N=C[N]2 |