aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41601 | 2.43 | 287.14 | C9H7O2N2SBr | COC(=O)c1sc2cc(Br)cnc2c1N |
|
AD41602 | 2.67 | 320.44 | C17H28O2N4 | CC(C)(C)OC(=O)N(Cc1ncn2c1CNCCC2)C1CCC1 |
|
AD41603 | 2.25 | 302.42 | C18H26O2N2 | CN(C)C(=O)COC1CCC2(CCNCC2)c2ccccc21 |
|
AD41604 | 2.26 | 279.35 | C16H17N5 | c1cncc(-c2ccc3nc(C4CCNCC4)nn3c2)c1 |
|
AD41605 | 2.18 | 293.75 | C15H16O2N3Cl | O=C(Nc1cccc(Cl)c1)C1=NOC2(CCCNC2)C1 |
|
AD41606 | 3.0 | 302.42 | C18H26O2N2 | CC(C)(C)OC(=O)N1CC(c2ccccc2)C2(CCNC2)C1 |
|
AD41607 | 2.2 | 281.94 | C6H6ON2Br2 | COc1cc(N)c(Br)nc1Br |
|
AD41608 | 2.56 | 296.37 | C18H20O2N2 | O=C(c1ccco1)N1CCC2(CC1)CNCc1ccccc12 |
|
AD41609 | 2.45 | 289.38 | C17H23O3N | COc1cc2c(cc1OC)C(=O)C(CC1CCNCC1)C2 |
|
AD41610 | 2.5 | 293.37 | C17H19N5 | Cn1cnc2c(-c3cccnc3)nc(C3CCNCC3)cc21 |