aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35541 | -0.23 | 230.28 | C11H14N6 | C[NH+]1CCCC(=Nc2ncnc3c2N=C[N]3)C1 |
|
AD35542 | 2.06 | 253.31 | C14H15N5 | Cc1cc(Nc2[nH+]cnc3c2C=C[N]3)cc(C)c1N |
|
AD35543 | 2.37 | 231.24 | C11H14N2F3 | Nc1cc(C(F)(F)F)c2c([nH+]1)CCCCC2 |
|
AD35544 | 2.16 | 231.32 | C13H19N4 | Cc1c(C)n(C2CCCC2)c2nc[nH+]c(N)c12 |
|
AD35545 | 2.42 | 242.29 | C11H8N5S | Sc1cccc(Nc2ncnc3c2N=C[N]3)c1 |
|
AD35546 | 2.2 | 259.27 | C11H7O2N4S | O=C(O)c1ccc(Nc2ncnc3c2C=C[N]3)s1 |
|
AD35547 | 2.14 | 253.24 | C13H9O2N4 | O=C(O)c1cccc(Nc2ncnc3c2C=C[N]3)c1 |
|
AD35548 | 2.2 | 259.27 | C11H7O2N4S | O=C(O)c1cc(Nc2ncnc3c2C=C[N]3)cs1 |
|
AD35549 | 2.14 | 253.24 | C13H9O2N4 | O=C(O)c1ccc(Nc2ncnc3c2C=C[N]3)cc1 |
|
AD35550 | 2.11 | 249.1 | C11H10O2N2Cl2 | O=C(NCCO)Nc1cccc(Cl)c1Cl |