aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD38121 | 0.88 | 279.26 | C14H9O2N5 | C#Cc1ccccc1C(=O)Nc1ncnc2[nH]c(=O)[nH]c12 |
|
AD38122 | 1.76 | 280.24 | C14H7ON5F | C#Cc1ccccc1C(=O)Nc1nc(F)nc2c1N=C[N]2 |
|
AD38123 | 0.52 | 277.27 | C14H9ON6 | C#Cc1ccccc1C(=O)n1c(N)c2c(nc1=N)[N]C=N2 |
|
AD38124 | 1.11 | 268.11 | C11H10O2NBr | O=C(NCCO)c1ccc(C#CBr)cc1 |
|
AD38125 | 1.06 | 284.35 | C14H18N7 | CC(C)C(C#N)N1CCN(c2ncnc3c2N=C[N]3)CC1 |
|
AD38126 | 0.48 | 260.7 | C10H9O3N2ClS | N#Cc1ccc(Cl)cc1S(=O)(=O)NCCO |
|
AD38127 | 0.94 | 257.25 | C13H11O3N3 | N#Cc1cccc(-c2cc(C(=O)NCCO)no2)c1 |
|
AD38128 | 1.89 | 256.29 | C12H8ON4S | N#Cc1cnc(C(=O)Nc2ccc(S)cc2)cn1 |
|
AD38129 | 1.75 | 279.28 | C14H11ON6 | N#Cc1ccc(OCCNc2ncnc3c2N=C[N]3)cc1 |
|
AD38130 | 1.88 | 279.28 | C14H11ON6 | COc1cc(CNc2ncnc3c2N=C[N]3)ccc1C#N |