aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14461 | 1.86 | 371.86 | C18H20N8Cl | Nc1nc(NCCN2CCN(c3cccc(Cl)c3)CC2)nc2c1N=C[N]2 |
|
AD14462 | 2.27 | 401.45 | C21H21ON8 | Nc1nc(N2CCN(c3ccc(OCc4ccncc4)cc3)CC2)nc2c1N=C[N]2 |
|
AD14463 | 5.1 | 635.76 | C31H27O2N10S2 | O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCN=C(S)Nc1cccc(N=C=S)c1 |
|
AD14464 | 1.3 | 681.91 | C28H43O5N9S3 | [NH-][NH+]=Nc1ccc(C(=O)NC(CCCCNC(=O)CCCCC2SCC3NC(=O)NC32)C(=O)NCCSSCCC(N)=O)cc1 |
|
AD14465 | 3.24 | 288.76 | C14H9N4ClS | Clc1ccccc1Cc1nnc(-c2cnccn2)s1 |
|
AD14466 | -0.36 | 630.72 | C29H38O8N6S | CSCCCC(NC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)O |
|
AD14467 | 4.75 | 266.41 | C15H28ON3 | CCCCCCCCCCCCOCC1=C[N]N=N1 |
|
AD14468 | 0.54 | 180.22 | C6H6N5S | NSc1nc(N)cc2c1N=C[N]2 |
|
AD14469 | 1.95 | 417.41 | C21H23O8N | CC(=O)COC(=O)c1cn(C2CC2)c2ccc(OCCOCCC(=O)O)cc2c1=O |
|
AD14470 | -1.11 | 572.69 | C24H40O8N6S | CC(=O)NC(C=NNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(O)OC(C=O)CO |