aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD23231 | 3.12 | 370.78 | C20H9N7Cl | N#Cc1cc(-c2ccc(C3=N[N]c4ncnc(N)c43)cc2C#N)ccc1Cl |
|
AD23232 | 8.7 | 647.35 | C40H55O2N4Cl | CC1(C)CCC2(C(=O)NCc3cn(-c4ccccc4Cl)nn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD23233 | 8.9 | 573.91 | C39H59O2N | CC1(C)CCC2(C(=O)NCCCc3ccccc3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD23234 | 2.21 | 246.25 | C12H12O3N3 | O=C(O)CCCOc1ccc(C2=C[N]N=N2)cc1 |
|
AD23235 | 1.38 | 248.24 | C11H12O3N4 | COCc1cn(Cc2cccc([N+](=O)[O-])c2)nn1 |
|
AD23236 | 0.73 | 234.21 | C10H10O3N4 | O=[N+]([O-])c1cccc(Cn2cc(CO)nn2)c1 |
|
AD23237 | 1.43 | 203.2 | C11H9O3N | O=C(O)c1ccc2ccc(CO)nc2c1 |
|
AD23238 | 2.08 | 278.22 | C12H7N5F3 | Nc1ncnc2c1C(c1ccc(C(F)(F)F)cc1)=N[N]2 |
|
AD23239 | -0.21 | 214.21 | C9H8N7 | Cn1cc(C2=N[N]c3ncnc(N)c32)cn1 |
|
AD23240 | 5.27 | 2725.31 | C134H182O21N38S2 | Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCNC(=O)CCCCCCC(=O)N(CCN(C)C(=O)CCCOc3cccc(-c4nc5ccc(-c6nc7ccc(N8CCN(C)CC8)cc7[nH]6)cc5[nH]4)c3)CC(=O)N(C)C(C)C(=O)N(C)C(C)C(=O)N(C)C(C)C(=O)N(CCCCN(C)C(=O)CCCOc3cccc(-c4nc5ccc(-c6nc7ccc(N8CCN(C)CC8)cc7[nH]6)cc5[nH]4)c3)CC(N)=O)cs2)cs1)C(C)O)C(O)c1cnc[nH]1 |