aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14421 | 4.58 | 364.23 | C18H12N4Br | BrC1=C(c2ccccc2)c2c(ncnc2Nc2ccccc2)[N]1 |
|
AD14422 | 1.59 | 254.27 | C13H12ON5 | Nc1nc(OCCc2ccccc2)nc2c1N=C[N]2 |
|
AD14423 | 2.64 | 262.3 | C15H12N5 | C=CC1=Nc2c(ncnc2N2CCc3ccccc32)[N]1 |
|
AD14424 | 0.02 | 226.6 | C8H5O2N5Cl | O=c1[nH]c(=O)n(CC2=C[N]N=N2)cc1Cl |
|
AD14425 | 1.87 | 225.24 | C11H15O4N | COC(O)=C1C(C)=NC(C)=C(C(=O)O)C1C |
|
AD14426 | -2.22 | 113.1 | C4H5O2N2 | O=C1CC=[NH+]C(=O)N1 |
|
AD14427 | 1.16 | 156.58 | C6H5N4Cl | C=NNc1ccc(Cl)nn1 |
|
AD14428 | 0.74 | 171.18 | C9H7N4 | C#CC1=C[N]c2ncnc(NC)c21 |
|
AD14429 | 3.09 | 447.5 | C22H19O3N6S | Cc1ccc(S(=O)(=O)n2c(CCOc3nc(N)c4c(n3)[N]C=N4)cc3ccccc32)cc1 |
|
AD14430 | 2.83 | 372.21 | C15H12ON6Br | Nc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1N=C[N]2 |