aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41511 | -0.41 | 233.23 | C10H11O2N5 | CN(C)c1ncc(-c2c[nH]c(=O)[nH]c2=O)cn1 |
|
AD41512 | 0.96 | 318.74 | C15H13O2N5Cl | CN1C(=O)CCc2cc(NC3=C(C(N)=O)N=C[N]3)cc(Cl)c21 |
|
AD41513 | 1.55 | 320.13 | C11H8ON6Br | Cn1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1=O |
|
AD41514 | -0.37 | 241.25 | C10H15O4N3 | CC1(C)OCC(Nc2c[nH]c(=O)[nH]c2=O)CO1 |
|
AD41515 | -1.15 | 213.19 | C8H11O4N3 | O=c1[nH]cc(NCC2OCCO2)c(=O)[nH]1 |
|
AD41516 | -0.62 | 240.26 | C10H16O3N4 | CCC(C)C(Nc1c[nH]c(=O)[nH]c1=O)C(N)=O |
|
AD41517 | -1.21 | 211.18 | C8H9O4N3 | O=C1CC(Nc2c[nH]c(=O)[nH]c2=O)CO1 |
|
AD41518 | 1.42 | 279.28 | C14H11ON6 | O=C1NCCc2cc(Nc3ncnc4c3N=C[N]4)ccc21 |
|
AD41519 | 2.0 | 299.33 | C16H17O3N3 | O=C(c1ccc(Nc2ccc(O)cc2)cn1)N1CCOCC1 |
|
AD41520 | 0.89 | 320.76 | C15H15O2N5Cl | NC(=O)C1=C(Nc2ccc(N3CCOCC3)c(Cl)c2)[N]C=N1 |