aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39501 | 1.8 | 302.36 | C15H20O2N5 | COC(=O)C(C)(C)C1CCCN(c2ncnc3c2N=C[N]3)C1 |
|
AD39502 | 1.93 | 310.34 | C16H16O2N5 | COC(=O)C(C)(CNc1ncnc2c1N=C[N]2)c1ccccc1 |
|
AD39503 | 0.63 | 288.15 | C10H14O2N3Br | CC(C)(C(=O)NCCO)c1ncc(Br)cn1 |
|
AD39504 | 1.08 | 295.34 | C14H21O4N3 | CC(C)(C)OC(=O)Nc1cccc(CC(=O)NCCO)n1 |
|
AD39505 | 1.84 | 286.36 | C14H14ON4S | O=C(Nc1ccc(S)cc1)C1CN(c2cnccn2)C1 |
|
AD39506 | 2.37 | 273.36 | C14H15ON3S | O=C(Nc1ccc(S)cc1)C1CCc2nccn2C1 |
|
AD39507 | 1.74 | 311.3 | C15H12ON6F | O=C1CC(Nc2ncnc3c2N=C[N]3)CN1c1ccccc1F |
|
AD39508 | 1.88 | 296.29 | C15H11ON5F | O=C(Nc1nc(F)nc2c1N=C[N]2)C1Cc2ccccc2C1 |
|
AD39509 | 1.0 | 295.3 | C15H13O2N5 | O=C(Nc1ncnc2[nH]c(=O)[nH]c12)C1Cc2ccccc2C1 |
|
AD39510 | 0.91 | 293.31 | C15H13ON6 | N=c1nc2c(c(N)n1C(=O)C1Cc3ccccc3C1)N=C[N]2 |