aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43001 | 2.62 | 356.43 | C17H18O2N5S | O=S(=O)(c1ccccc1Nc1ncnc2c1C=C[N]2)N1CCCCC1 |
|
AD43002 | 2.53 | 356.43 | C17H18O2N5S | Cc1ccc(S(=O)(=O)N2CCCC2)cc1Nc1ncnc2c1C=C[N]2 |
|
AD43003 | 1.94 | 318.36 | C15H20O3N5 | CCOC(=O)CCCCCNC(=O)Nc1ncnc2c1C=C[N]2 |
|
AD43004 | 0.71 | 129.55 | C5H4N3Cl | Nc1cc(Cl)cnn1 |
|
AD43005 | 1.01 | 137.19 | C7H11N3 | CCCc1cc(N)ncn1 |
|
AD43006 | 0.44 | 162.19 | C9H10ON2 | Nc1cccc2c1CC(=O)NC2 |
|
AD43007 | 2.79 | 331.15 | C13H9ON5Br | BrC1=Nc2c(ncnc2Nc2cccc3c2OCC3)[N]1 |
|
AD43008 | 0.9 | 143.58 | C6H6N3Cl | Nc1ccc(Cl)nc1N |
|
AD43009 | 0.71 | 129.55 | C5H4N3Cl | Nc1cnc(Cl)cn1 |
|
AD43010 | 1.65 | 319.1 | C7H6O2N2F3SBr | O=C(NCCO)c1sc(Br)nc1C(F)(F)F |