aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41731 | 1.44 | 359.18 | C9H8N6SI | S=C(Nc1nc(I)nc2c1N=C[N]2)NC1CC1 |
|
AD41732 | -0.53 | 219.2 | C9H9O2N5 | O=c1[nH]cc(NCc2cccnn2)c(=O)[nH]1 |
|
AD41733 | 1.6 | 327.35 | C14H11O2N6S | S=C(NCc1ccc2c(c1)OCO2)Nc1ncnc2c1N=C[N]2 |
|
AD41734 | -0.79 | 195.18 | C8H9O3N3 | O=C1CC(Nc2c[nH]c(=O)[nH]c2=O)C1 |
|
AD41735 | -0.62 | 240.26 | C10H16O3N4 | CC(C)C(C)(Nc1c[nH]c(=O)[nH]c1=O)C(N)=O |
|
AD41736 | 0.97 | 329.41 | C11H14ON6FS2 | CS(=O)CCCCNC(=S)Nc1nc(F)nc2c1N=C[N]2 |
|
AD41737 | 1.02 | 318.33 | C15H17O2N5F | CCN(CC)C(=O)c1cc(NC2=C(C(N)=O)N=C[N]2)ccc1F |
|
AD41738 | 0.24 | 339.4 | C15H25O4N5 | CCn1nnc2c1C(C(=O)NCCO)CN(C(=O)OC(C)(C)C)C2 |
|
AD41739 | 0.52 | 348.77 | C16H15O3N5Cl | NC(=O)C1=C(Nc2ccc(Cl)c(C(=O)N3CCOCC3)c2)[N]C=N1 |
|
AD41740 | 0.28 | 310.35 | C14H22O4N4 | CC(C)(C)OC(=O)N1Cc2ccnn2C(C(=O)NCCO)C1 |