aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12031 | 3.85 | 493.29 | C20H14N8I | Ic1cccc(CNc2nc(-n3cc(-c4ccccn4)cn3)nc3c2N=C[N]3)c1 |
|
AD12032 | 2.31 | 224.15 | C10H9O4P | O=P(O)(O)Oc1cccc2ccccc12 |
|
AD12033 | -0.69 | 113.12 | C4H7ON3 | Cn1cc(CO)nn1 |
|
AD12034 | 3.78 | 196.29 | C15H16 | Cc1cccc(CCc2ccccc2)c1 |
|
AD12035 | 14.4 | 1002.71 | C44H12N4F18S2 | Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)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)c1F |
|
AD12036 | -1.65 | 492.48 | C23H28O10N2 | COC1(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CNC(=O)c2ccc3ccccc3c2)O1 |
|
AD12037 | 2.32 | 137.18 | C8H11ON | CC=Cc1c(C)noc1C |
|
AD12038 | 4.47 | 424.47 | C22H33O6P | COP(=O)(O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C |
|
AD12039 | 3.15 | 285.73 | C16H12ON3Cl | O=C(NCc1ccccc1Cl)c1ccc2[nH]cnc2c1 |
|
AD12040 | 1.5 | 165.19 | C9H11O2N | O=C(O)NCCc1ccccc1 |