aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD32501 | 0.97 | 226.3 | C10H14O2N2S | COc1cccc(NC(=S)NCCO)c1 |
|
AD32502 | 0.41 | 214.29 | C9H14O2N2S | Cc1nc(CC(=O)NCCO)c(C)s1 |
|
AD32503 | 0.28 | 216.19 | C9H10O2N2F2 | O=C(NCCO)C(F)(F)c1ccccn1 |
|
AD32504 | 1.5 | 194.62 | C9H7N4Cl | Nc1nc(Cl)cc(-n2cccc2)n1 |
|
AD32505 | 2.15 | 205.29 | C10H11N3S | Nc1ncnc2sc3c(c12)CCCC3 |
|
AD32506 | 1.75 | 201.68 | C8H8N3ClS | Nc1nc(Cl)nc2c1SCCC2 |
|
AD32507 | 2.24 | 199.67 | C8H6N3ClS | Cc1csc2c(N)nc(Cl)nc12 |
|
AD32508 | 1.87 | 209.64 | C10H8ON3Cl | COc1ccc2c(N)nc(Cl)nc2c1 |
|
AD32509 | 2.24 | 199.67 | C8H6N3ClS | Cc1csc2nc(Cl)nc(N)c12 |
|
AD32510 | 1.49 | 200.62 | C9H9O2N2Cl | CCOC(=O)c1ccc(Cl)nc1N |