aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39971 | 1.62 | 265.26 | C13H9ON6 | O=C1Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2N1 |
|
AD39972 | 1.91 | 312.38 | C9H6O2N5S3 | O=S(=O)(Nc1[nH]c(=S)nc2c1N=C[N]2)c1cccs1 |
|
AD39973 | 1.85 | 306.35 | C11H8O2N5S2 | O=S(=O)(Nc1[nH]c(=S)nc2c1N=C[N]2)c1ccccc1 |
|
AD39974 | 0.72 | 280.14 | C8H10O3NSBr | O=S(=O)(NCCO)c1ccc(Br)cc1 |
|
AD39975 | 1.66 | 312.31 | C15H14O3N5 | COC(=O)c1ccc(OCCNc2ncnc3c2N=C[N]3)cc1 |
|
AD39976 | 2.33 | 267.28 | C12H10O3NFS | O=S(=O)(Nc1ccc(O)cc1)c1ccc(F)cc1 |
|
AD39977 | 2.2 | 279.32 | C13H13O4NS | COc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1 |
|
AD39978 | 1.68 | 299.15 | C10H13ON5Br | CCCC(O)CNc1ncnc2c1N=C(Br)[N]2 |
|
AD39979 | 2.33 | 263.32 | C13H13O3NS | O=S(=O)(Cc1ccccc1)Nc1ccc(O)cc1 |
|
AD39980 | 1.89 | 308.33 | C15H14ON7 | COc1ccc2c(c1)nc(CNc1ncnc3c1N=C[N]3)n2C |