aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14701 | 2.93 | 324.76 | C16H11N7Cl | CNc1nc(-n2cc(-c3ccc(Cl)cc3)cn2)nc2c1N=C[N]2 |
|
AD14702 | 1.37 | 339.28 | C14H12O2N5F3 | Nc1nc2c(c(=O)[nH]1)[N+](CCOc1ccc(C(F)(F)F)cc1)=C[N]2 |
|
AD14703 | 2.18 | 256.26 | C13H11N5F | Fc1cccc(CCNc2ncnc3c2N=C[N]3)c1 |
|
AD14704 | 2.01 | 267.32 | C14H15N6 | CC(Cc1ccccc1)Nc1nc(N)nc2c1N=C[N]2 |
|
AD14705 | 0.35 | 86.09 | C4H6O2 | C=CC(=O)OC |
|
AD14706 | 5.4 | 803.02 | C46H58O5N8 | NC1CC(N)C(OCc2ccc3ccccc3c2)C(OCCCCCCNC(=O)CCCC(=O)Nc2cccc(CN(Cc3ccccn3)Cc3ccccn3)n2)C1O |
|
AD14707 | 0.57 | 215.24 | C10H11N6 | CCCN1N=C(N)C2=C[N]c3ncnc1c32 |
|
AD14708 | 3.54 | 227.03 | C9H2N5Cl2 | [N-]=[N+]=NC1=Nc2c(Cl)cc(Cl)cc2[N]1 |
|
AD14709 | 3.51 | 507.71 | C29H49O6N | CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=O)C=CC(C)=CC1O |
|
AD14710 | 1.04 | 257.23 | C11H9O2N6 | Cc1ccc(C(=O)NNc2ncnc3c2N=C[N]3)o1 |