aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD19391 | 1.51 | 238.25 | C14H10O2N2 | O=C1C=CC2N=CC=C3c4ccc(O)cc4N1C32 |
|
AD19392 | -1.18 | 502.57 | C22H38O9N4 | CC(=CC(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)CC(C)(O)CCO)NC1=O)CCO |
|
AD19393 | 0.96 | 262.3 | C15H18O4 | C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12 |
|
AD19394 | 4.45 | 286.79 | C16H11N2ClS | Clc1ccccc1Cc1nnc(-c2ccccc2)s1 |
|
AD19395 | 4.34 | 340.84 | C18H13N4ClS | Cn1nc(-c2nnc(Cc3ccccc3Cl)s2)c2ccccc21 |
|
AD19396 | 0.22 | 169.18 | C7H11O2N3 | Cn1cc(CCCC(=O)O)nn1 |
|
AD19397 | 3.56 | 466.59 | C23H28O2N7S | CN(C)c1cccc2c(S(=O)(=O)NCCCCCCNc3ncnc4c3N=C[N]4)cccc12 |
|
AD19398 | -3.04 | 826.06 | C37H71O8N13 | CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)CNCCCCN(C)CCC(N)C(=O)O)C(=O)NC(C)C(N)=O |
|
AD19399 | 1.24 | 270.27 | C13H12O2N5 | Oc1cccc(C(O)CNc2ncnc3c2N=C[N]3)c1 |
|
AD19400 | 5.52 | 1281.13 | C66H59O16N9Cl2 | CNC1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cccc1c2)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)NCCCN(C)C)NC3=O |