aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05691 | 1.2 | 337.41 | C18H21ON6 | CN(C)CCNC(=O)CNc1ncnc2c1C(c1ccccc1)=C[N]2 |
|
AD05692 | 2.15 | 217.28 | C10H9N4S | CN(C)c1ncnc2c1-c1sccc1[N]2 |
|
AD05693 | 4.04 | 329.42 | C18H19O3NS | CNCCC(Oc1cccc2c(O)c(O)ccc12)c1cccs1 |
|
AD05694 | 6.85 | 653.58 | C34H33O3N6Br | Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Br)cn5)n(C)c4c3)CCC2)nc2ccc(C=CC(=O)O)cc21 |
|
AD05695 | 4.34 | 856.12 | C46H73O10N5 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCN(CCC#N)C(=O)Nc2cccc3ccccc23)C(C)C(O)C1(C)O |
|
AD05696 | 3.77 | 479.45 | C26H17O5N5 | O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccncc1 |
|
AD05697 | 6.32 | 456.71 | C30H48O3 | CC1(C)CCC2(C=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD05698 | -0.01 | 285.39 | C14H27O3N3 | CC(N)C(=O)N1CCCC1C(=O)NCCCCCCO |
|
AD05699 | -0.9 | 141.13 | C5H7O2N3 | CNc1cc(=O)[nH]c(=O)[nH]1 |
|
AD05700 | -1.03 | 209.19 | C8H9O3N4 | COC1=Nc2c(c(=O)n(C)c(=O)n2C)[N]1 |