aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42241 | 1.84 | 299.12 | C11H11O3N2Br | CCOC(=O)COc1c(N)cc(Br)cc1C#N |
|
AD42242 | 2.74 | 336.44 | C14H16O2N4S2 | CCOC(=O)c1sc2[nH]c(CSCCC#N)nc(=N)c2c1C |
|
AD42243 | -1.07 | 238.2 | C9H10O4N4 | CCOC(=O)C(C#N)Nc1c[nH]c(=O)[nH]c1=O |
|
AD42244 | -0.07 | 120.12 | C5H4N4 | N#Cc1ccnc(N)n1 |
|
AD42245 | -0.07 | 120.11 | C5H4N4 | N#Cc1ncncc1N |
|
AD42246 | -0.04 | 186.15 | C8H4ON5 | C#CC(=O)Nc1ncnc2c1N=C[N]2 |
|
AD42247 | 1.86 | 341.42 | C16H17ON6S | Nc1ccc(CCN(C(=O)CCS)c2ncnc3c2N=C[N]3)cc1 |
|
AD42248 | 2.76 | 312.03 | C8H4N2F3I | N#Cc1cc(I)c(N)cc1C(F)(F)F |
|
AD42249 | 2.28 | 276.34 | C18H16ON2 | NCCC(=O)N1Cc2ccccc2C#Cc2ccccc21 |
|
AD42250 | 2.1 | 306.37 | C18H18ON4 | N#Cc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1 |