aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD09171 | 4.66 | 305.79 | C16H12O2NClS | COc1ccc(Cc2ncc(-c3ccco3)s2)c(Cl)c1 |
|
AD09172 | 5.77 | 326.27 | C16H9NCl2S2 | Clc1ccc(Cc2ncc(-c3cccs3)s2)c(Cl)c1 |
|
AD09173 | -1.55 | 2228.83 | C109H135O30N20Cl | CC(C)CC=CC=CC(=O)NC(CC(N)=O)C(=O)CC1C(=O)NC(c2ccc(O)cc2)C(=O)NC(CCCN)C(=O)NC(C(C)O)C(=O)NC(c2ccc(O)cc2)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCN)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(c2ccc(O)cc2)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(c2ccc(O)c(Cl)c2)C(=O)OC1C(N)=O |
|
AD09174 | 7.82 | 1331.12 | C68H49O18N7Cl2S | O=C1NC2C(=O)NC3C(=O)NC4C(=O)NC(C(=O)NC(C(=O)O)c5cc(O)cc(O)c5-c5cc4ccc5O)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)CC1NC(=O)C(n1cc3ccccc3c1S)c1ccc(O)c(c1)Oc1cc(O)cc2c1 |
|
AD09175 | 0.61 | 278.26 | C12H8N9 | Nc1nc(-n2cc(-c3cccnc3)nn2)nc2c1N=C[N]2 |
|
AD09176 | 0.03 | 395.84 | C19H22O5N3Cl | O=c1ccn(C2OC(C(O)CNCCc3ccc(Cl)cc3)CC2O)c(=O)[nH]1 |
|
AD09177 | 12.66 | 522.94 | C35H70O2 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC |
|
AD09178 | 2.01 | 254.27 | C13H12ON5 | COc1cccc(CNc2ncnc3c2N=C[N]3)c1 |
|
AD09179 | 1.51 | 390.44 | C20H26O6N2 | CNC(=O)CNC(=O)CCC(C)=CCc1c(O)c2c(c(C)c1OC)COC2=O |
|
AD09180 | -1.67 | 538.61 | C20H39O7N6PS | COP(O)(=S)OC1C(CO)OC(n2ccc(=O)[nH]c2=O)C1NCCCNCCCCNCCCN |