aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22661 | 0.57 | 205.21 | C11H11O3N | O=CNC1c2ccccc2CC1OC=O |
|
AD22662 | 2.4 | 317.13 | C12H7ON5Br | O=C(Nc1ncnc2c1N=C[N]2)c1ccc(Br)cc1 |
|
AD22663 | 2.51 | 495.4 | C24H32O8Cl2 | COC1C(O)CC(=O)OC(C)CC=CC=CC(OC(=O)C(Cl)Cl)C(C)CC(CC=O)C1O |
|
AD22664 | 1.76 | 335.35 | C16H15ON8 | C1=Nc2c(ncnc2NCc2cn(COCc3ccccc3)nn2)[N]1 |
|
AD22665 | 1.62 | 336.42 | C18H22N7 | C1=Nc2c(ncnc2NCCN2CCN(Cc3ccccc3)CC2)[N]1 |
|
AD22666 | 3.82 | 256.74 | C16H13N2Cl | Cn1ncc2cc(Cc3ccccc3Cl)ccc21 |
|
AD22667 | 0.71 | 213.01 | C6H3ON3Br | O=c1[nH]cnc2c1C(Br)=C[N]2 |
|
AD22668 | -0.75 | 392.5 | C20H32O4N4 | CCNC1CC(N)C(OC2OC(CN)=C(c3ccccc3)CC2N)C(O)C1O |
|
AD22669 | 6.26 | 672.36 | C25H14O4N5S2Br2 | Nc1nc2c(c(SCc3cc4cc(Br)ccc4oc3=O)n1)N=C(SCc1cc3cc(Br)ccc3oc1=O)[N]2 |
|
AD22670 | 5.35 | 542.62 | C27H20O4N5S2 | Cc1ccc2oc(=O)c(CSC3=Nc4c(nc(N)nc4SCc4cc5cc(C)ccc5oc4=O)[N]3)cc2c1 |