aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43561 | 2.91 | 346.83 | C15H13N7ClS | CN(C)c1ccc(NC(=S)Nc2nc(Cl)nc3c2N=C[N]3)cc1 |
|
AD43562 | 2.95 | 328.32 | C14H11O2N2F3S | O=C(Nc1ccc(S)cc1)c1cccc(=O)n1CC(F)(F)F |
|
AD43563 | 3.1 | 326.42 | C15H22O4N2S | CON(CCC(=O)Nc1ccc(S)cc1)C(=O)OC(C)(C)C |
|
AD43564 | 3.11 | 300.38 | C16H16O2N2S | O=C(Nc1ccc(S)cc1)c1ccn(C2CCC2)c(=O)c1 |
|
AD43565 | 1.76 | 309.35 | C16H17ON6 | CC(C)(Cc1ccccc1)C(=O)n1c(N)c2c(nc1=N)[N]C=N2 |
|
AD43566 | 2.8 | 300.38 | C16H16O2N2S | O=C(Nc1ccc(S)cc1)c1ccn(CC2CC2)c(=O)c1 |
|
AD43567 | 2.03 | 309.16 | C13H13O2N2Br | Cc1cc(C(=O)NCCO)c2cc(Br)ccc2n1 |
|
AD43568 | 2.8 | 300.38 | C16H16O2N2S | O=C(Nc1ccc(S)cc1)c1cccc(=O)n1CC1CC1 |
|
AD43569 | 3.2 | 315.4 | C16H17O2N3S | O=C(Nc1ccc(S)cc1)c1cc(OCC2CCC2)ncn1 |
|
AD43570 | 2.93 | 310.38 | C17H14O2N2S | O=C(Cn1ccc2ccccc2c1=O)Nc1ccc(S)cc1 |