aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43911 | 3.91 | 290.37 | C18H18N4 | CC(C)(C)n1nc(-c2cccc3ccccc23)c(C#N)c1N |
|
AD43912 | 3.24 | 289.31 | C15H9ONF2S | O=C(C#Cc1ccc(F)cc1F)Nc1ccc(S)cc1 |
|
AD43913 | 2.62 | 357.15 | C13H7ON7Br | N#Cc1cccc(NC(=O)Nc2ncnc3c2N=C(Br)[N]3)c1 |
|
AD43914 | 1.9 | 278.25 | C13H8ON7 | N#Cc1cccc(NC(=O)Nc2ncnc3c2N=C[N]3)c1 |
|
AD43915 | 2.78 | 365.16 | C12H10N6I | N#CC1CCC(=Nc2nc(I)nc3c2N=C[N]3)CC1 |
|
AD43916 | 2.89 | 318.16 | C12H10N6Br | N#CC1CCC(=Nc2ncnc3c2N=C(Br)[N]3)CC1 |
|
AD43917 | 2.12 | 314.43 | C16H30O4N2 | C=CCCCCCC(NC(=O)OC(C)(C)C)C(=O)NCCO |
|
AD43918 | 2.19 | 343.1 | C10H8O2N4I | C=CCOC(=O)Nc1ncnc2c1C(I)=C[N]2 |
|
AD43919 | 2.48 | 359.14 | C14H6ON5FBr | O=C(Nc1nc(F)nc2c1N=C[N]2)c1ccc(C#CBr)cc1 |
|
AD43920 | 1.6 | 358.15 | C14H8O2N5Br | O=C(Nc1ncnc2[nH]c(=O)[nH]c12)c1ccc(C#CBr)cc1 |