aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD38101 | 2.45 | 248.08 | C10H6N3Br | N#Cc1cnc2cc(Br)ccc2c1N |
|
AD38102 | 2.36 | 254.31 | C14H10ON2S | O=C(C#Cc1cccnc1)Nc1ccc(S)cc1 |
|
AD38103 | 2.36 | 254.31 | C14H10ON2S | O=C(C#Cc1ccccn1)Nc1ccc(S)cc1 |
|
AD38104 | 0.88 | 273.34 | C15H19O2N3 | N#Cc1ccccc1N1CCC(C(=O)NCCO)CC1 |
|
AD38105 | 0.41 | 263.31 | C10H11ON6S | C=CCSCC(=O)n1c(N)c2c(nc1=N)[N]C=N2 |
|
AD38106 | 2.48 | 243.09 | C12H8ON2Cl2 | N#CC(CC(N)=O)c1c(Cl)cccc1Cl |
|
AD38107 | 1.0 | 257.29 | C14H15O2N3 | Cc1[nH]c2ccc(C#N)cc2c1CC(=O)NCCO |
|
AD38108 | 1.9 | 278.25 | C13H8ON7 | N#Cc1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1 |
|
AD38109 | 0.85 | 257.28 | C12H13ON6 | C=C1CC(C)(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)C1 |
|
AD38110 | 0.98 | 260.08 | C11H7O2N3Cl2 | N#Cc1c(Cl)cc(C(=O)NCCO)nc1Cl |