aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00441 | 6.21 | 437.52 | C26H19O2N3S | COc1ccc(-c2c(C(=O)Nc3ccccc3)c(-c3ccccc3)[nH]c(=S)c2C#N)cc1 |
|
AD00442 | 5.32 | 440.67 | C25H48O4N2 | CCCCCCCCCCCCCCCC(=O)N1C(CN)OCC1C(=O)OC(C)(C)C |
|
AD00443 | 1.37 | 166.18 | C9H10O3 | CC(=O)C=Cc1ccc(CO)o1 |
|
AD00444 | 2.23 | 164.23 | C8H8N2S | Cc1cc(C)c(C#N)c(=S)[nH]1 |
|
AD00445 | -3.36 | 1018.51 | C46H52O11N13ClS | CC(c1ccccc1)C1NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(Cc2ccc3nc(SCC(=O)c4ccc(Cl)cc4)oc3c2)NC1=O |
|
AD00446 | 1.73 | 256.26 | C15H12O4 | O=C1c2c(O)cccc2Cc2cc(CO)cc(O)c21 |
|
AD00447 | -0.47 | 146.19 | C6H14O2N2 | CC(N)CCC(N)C(=O)O |
|
AD00448 | 1.59 | 281.34 | C16H17ON4 | CCCCCc1ccc(C#CC2=N[N]C(C(N)=O)=N2)cc1 |
|
AD00449 | 1.56 | 294.21 | C13H7O2N3F3 | COC(=O)C1=NC(C#Cc2ccc(C(F)(F)F)cc2)=N[N]1 |
|
AD00450 | 0.32 | 140.12 | C6H5ON2F | NC(=O)c1ncccc1F |