aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04081 | 3.12 | 413.42 | C22H17O3N6 | COc1ccc(NC(=O)Nc2nc(C#CC(O)c3ccccc3)nc3c2N=C[N]3)cc1 |
|
AD04082 | 2.05 | 254.23 | C11H15O3N2P | COP(=O)(O)NCCc1c[nH]c2ccccc12 |
|
AD04083 | 1.01 | 305.72 | C14H12O2N5Cl | Nc1nc2c(c(=O)[nH]1)[N+](CCOc1ccc(Cl)cc1)=C[N]2 |
|
AD04084 | -9.54 | 1606.76 | C69H111O25N19 | CCC(C)C(NCC(=O)O)C(=O)NC(C)C(=O)NC(C)CNCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(O)CN)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(C(=O)O)C(C)O |
|
AD04085 | 1.85 | 174.2 | C10H10ON2 | c1ccc(CCc2nnco2)cc1 |
|
AD04086 | -3.44 | 1129.34 | C47H72O11N18S2 | CCC(=O)NCCCCNCCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(O)c3c[nH]cn3)C(C)O)n2)n1 |
|
AD04087 | 2.44 | 537.79 | C28H55O3N7 | C[N+](C)(C)CCCC(=O)NCCCCn1nnc2c1CCCCCC2OCCNC(=O)CCC[N+](C)(C)C |
|
AD04088 | 4.02 | 328.4 | C20H18N5 | C1=Nc2c(ncnc2NCCC(c2ccccc2)c2ccccc2)[N]1 |
|
AD04089 | 3.5 | 376.54 | C23H36O4 | CC(=O)C1C(OCCO)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C |
|
AD04090 | 0.32 | 183.58 | C6H4N6Cl | NNc1nc(Cl)nc2c1N=C[N]2 |