aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40121 | 1.91 | 307.34 | C16H15ON6 | Cc1ccc(N2CCC(Nc3ncnc4c3N=C[N]4)C2=O)cc1 |
|
AD40122 | 1.49 | 303.35 | C14H19O2N6 | CC(C)(C)OC(=O)NC1CCN(c2ncnc3c2N=C[N]3)C1 |
|
AD40123 | 1.75 | 300.37 | C14H14ON5S | O=S(CCNc1ncnc2c1N=C[N]2)Cc1ccccc1 |
|
AD40124 | 1.0 | 302.39 | C13H16N7S | CC1CN=C(N2CCN(c3ncnc4c3N=C[N]4)CC2)S1 |
|
AD40125 | 1.98 | 303.38 | C12H15N8S | CC(C)N1C(=S)N=NC1CCNc1ncnc2c1N=C[N]2 |
|
AD40126 | 1.74 | 305.36 | C14H21O2N6 | CN(CCCNC(=O)OC(C)(C)C)c1ncnc2c1N=C[N]2 |
|
AD40127 | 1.81 | 303.35 | C14H19O2N6 | CC(C)OC(=O)N1CCC(Nc2ncnc3c2N=C[N]3)CC1 |
|
AD40128 | 1.74 | 305.36 | C14H21O2N6 | CC(CNC(=O)OC(C)(C)C)N(C)c1ncnc2c1N=C[N]2 |
|
AD40129 | 1.39 | 316.41 | C14H18N7S | CC1(C)CN=C(N2CCN(c3ncnc4c3N=C[N]4)CC2)S1 |
|
AD40130 | 1.93 | 296.31 | C15H14O2N5 | O=C(CCNc1ncnc2c1N=C[N]2)OCc1ccccc1 |