aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05371 | 1.96 | 184.18 | C10H6ON3 | C1=Cc2c(ncnc2-c2ccoc2)[N]1 |
|
AD05372 | 0.09 | 216.22 | C10H10ON5 | CC(C)(O)C#Cc1nc(N)c2c(n1)[N]C=N2 |
|
AD05373 | 1.99 | 201.18 | C10H6N4F | FC1=C[N]c2ncnc(-c3cc[nH]c3)c21 |
|
AD05374 | 1.21 | 176.2 | C8H10N5 | CC(C)Nc1ncnc2c1N=C[N]2 |
|
AD05375 | 2.89 | 314.29 | C17H14O6 | COc1ccc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc1 |
|
AD05376 | 4.48 | 392.58 | C24H40O4 | CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C |
|
AD05377 | 14.7 | 1030.86 | C44H14N4F16S4 | Fc1c(F)c(-c2c3nc(c(-c4c(F)c(F)c(S)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(S)c(F)c4F)c4nc(c(-c5c(F)c(F)c(S)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c(F)c1S |
|
AD05378 | 3.52 | 631.72 | C33H45O11N | CCC(=O)OC1CC(=O)OC(C)CC2OC(=O)N(Cc3ccccc3)C2C=CC(OC(C)=O)C(C)CC(CC=O)C(O)C1OC |
|
AD05379 | -3.14 | 1178.37 | C50H71O11N19S2 | 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)c3ccccn3)cs2)cs1)C(C)O)C(O)c1c[nH]cn1 |
|
AD05380 | 2.02 | 293.35 | C16H17N6 | Cc1ccc(N2CCN(c3ncnc4c3N=C[N]4)CC2)cc1 |