aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20671 | 1.65 | 236.38 | C13H20N2S | CSCCNCC1Cc2ccccc2CN1 |
|
AD20672 | 1.95 | 482.66 | C27H46O7 | CC(CO)CCC1(O)OC2CC3C4CC(O)C5(O)CC(O)CCC5(C)C4CCC3(C)C2(O)C1C |
|
AD20673 | 6.32 | 456.71 | C30H48O3 | CC1(C)CCC2(CO)C(=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD20674 | 2.01 | 254.27 | C13H12ON5 | COc1nc2c(c(NCc3ccccc3)n1)N=C[N]2 |
|
AD20675 | 2.04 | 253.29 | C13H13N6 | CNc1nc2c(c(NCc3ccccc3)n1)N=C[N]2 |
|
AD20676 | 7.26 | 514.63 | C33H30O2N4 | CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 |
|
AD20677 | 1.34 | 355.4 | C17H20N8F | Nc1nc(NCCN2CCN(c3ccccc3F)CC2)nc2c1N=C[N]2 |
|
AD20678 | 1.62 | 420.85 | C20H21O5N4Cl | CC(O)C(N)C(=O)NC(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl |
|
AD20679 | 1.23 | 411.49 | C20H27O2N8 | COCCOc1ccc(N2CCN(CCNc3nc(N)c4c(n3)[N]C=N4)CC2)cc1 |
|
AD20680 | 3.34 | 268.3 | C13H8ON4S | c1cc2cc(-c3noc(-c4cscn4)n3)ccc2[nH]1 |