aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20301 | 0.13 | 271.05 | C7H5O2N5Br | O=c1[nH]c(=O)n(CC2=C[N]N=N2)cc1Br |
|
AD20302 | 2.46 | 247.33 | C10H7N4S2 | Nc1ncnc2c1C(Sc1cccs1)=C[N]2 |
|
AD20303 | 2.49 | 408.63 | C18H36O4N2S2 | O=C(CCCSSCCCC(=O)NCCCCCO)NCCCCCO |
|
AD20304 | 2.44 | 253.67 | C14H6N4Cl | Clc1ccccc1C#Cc1ncnc2c1N=C[N]2 |
|
AD20305 | 1.1 | 240.25 | C11H10N7 | Cc1cnc(CNc2ncnc3c2N=C[N]3)cn1 |
|
AD20306 | 1.03 | 199.14 | C7H5ON4F2 | FC(F)COc1ncnc2c1N=C[N]2 |
|
AD20307 | 0.49 | 211.21 | C10H7N6 | Nc1ncnc2c1C(c1cncnc1)=C[N]2 |
|
AD20308 | 2.89 | 277.33 | C17H15ON3 | Nc1nc(CO)cc(-c2ccc(-c3ccccc3)cc2)n1 |
|
AD20309 | 2.32 | 177.23 | C8H7N3S | C=NNc1nc2ccccc2s1 |
|
AD20310 | 3.08 | 762.0 | C40H67O9N5 | CCc1ccc(-n2cc(COCC3CN(C)CC(C)C(O)C(C)CC(C)(OC)C(OC4OC(C)CC(N(C)C)C4O)C(C)C(O)C(C)C(=O)O3)nn2)cc1 |