aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20851 | 2.2 | 310.34 | C15H16ON7 | CCCOc1ccc(C=NNc2nc(N)c3c(n2)[N]C=N3)cc1 |
|
AD20852 | 6.42 | 1238.96 | C61H45O18N9Cl2 | COC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N=[N+]=[N-])c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD20853 | 1.42 | 256.15 | C5H6O2NS2Br | CNS(=O)(=O)c1ccc(Br)s1 |
|
AD20854 | 0.57 | 166.14 | C6H5N5F | CNc1nc(F)nc2c1N=C[N]2 |
|
AD20855 | 3.18 | 241.29 | C15H15O2N | CNc1ccc(-c2cccc(C(=O)OC)c2)cc1 |
|
AD20856 | 1.61 | 222.27 | C9H10ON4S | CCn1nccc1NC(=O)c1cscn1 |
|
AD20857 | 5.67 | 484.73 | C26H12O3N3Cl3 | O=C(CCl)CN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4c(Cl)cccc4c23)C1=O |
|
AD20858 | 4.88 | 351.39 | C22H15ON4 | COc1ccc2cc(-c3cccc(-c4ncnc5c4N=C[N]5)c3)ccc2c1 |
|
AD20859 | 2.86 | 265.32 | C14H9N4S | N#Cc1ccc(CSc2ncnc3c2C=C[N]3)cc1 |
|
AD20860 | 1.18 | 270.31 | C15H16O2N3 | CCCc1cc(C(=O)c2cc[nH+]cc2C(N)=O)ccn1 |