aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43531 | 2.46 | 315.4 | C16H17O2N3S | O=C(Nc1ccc(S)cc1)c1ccncc1N1CCOCC1 |
|
AD43532 | 2.81 | 296.36 | C15H12ON4S | O=C(Nc1ccc(S)cc1)c1cncn1-c1ccccn1 |
|
AD43533 | 2.53 | 330.32 | C14H9O2N5FS | FC1=C[N]c2ncnc(NC(=S)Nc3ccc4c(c3)OCO4)c21 |
|
AD43534 | 3.04 | 305.4 | C16H19O3NS | CC12CCC(C(=O)Nc3ccc(S)cc3)(OC1=O)C2(C)C |
|
AD43535 | 2.58 | 347.77 | C14H8O2N6ClS | S=C(Nc1ccc2c(c1)OCO2)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD43536 | 2.87 | 310.38 | C16H14ON4S | O=C(Nc1ccc(S)cc1)c1nccn1Cc1ccccn1 |
|
AD43537 | 1.36 | 310.15 | C12H12O2N3Br | O=C(NCCO)c1cn(-c2ccccc2Br)cn1 |
|
AD43538 | 3.12 | 290.39 | C15H18O2N2S | CC(C)(C)c1csc(COc2cccc(C(N)=O)c2)n1 |
|
AD43539 | 2.91 | 333.17 | C13H11ON5Br | CC(O)c1cccc(Nc2ncnc3c2N=C(Br)[N]3)c1 |
|
AD43540 | 1.18 | 236.64 | C10H7ON5Cl | O=C1CC(Nc2nc(Cl)nc3c2N=C[N]3)C1 |