aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD15991 | 3.13 | 331.2 | C13H7N4SBr | N#Cc1c(N)nc(S)c(C#N)c1-c1ccc(Br)cc1 |
|
AD15992 | 2.06 | 184.14 | C9H6O2F2 | O=C(O)C=Cc1ccc(F)c(F)c1 |
|
AD15993 | 4.88 | 349.47 | C23H27O2N | CC1(C)C(=O)C=CC2(C)C1CCC1Cc3c([nH]c4cc(O)ccc34)C12C |
|
AD15994 | 1.68 | 183.18 | C9H10O2NF | COC(=O)NCc1ccc(F)cc1 |
|
AD15995 | 1.74 | 335.35 | C16H15ON8 | CNc1nc(-c2cn(Cc3cccc(OC)c3)nn2)nc2c1N=C[N]2 |
|
AD15996 | 8.51 | 636.96 | C38H68O7 | CCCCCCC(O)CCCC(O)C1CCC(C2CCC(C(CCCCCCCCCCCCC3=CC(C)OC3=O)OC)O2)O1 |
|
AD15997 | 2.87 | 249.25 | C14H9ON4 | Nc1ncnc2c1-c1c(cccc1-c1ccco1)[N]2 |
|
AD15998 | -0.87 | 354.34 | C13H14ON12 | Nc1nc2c(c(NCC(O)CNc3nc(N)nc4c3N=C[N]4)n1)N=C[N]2 |
|
AD15999 | 4.03 | 358.43 | C21H20ON5 | COc1nc2c(c(NCCC(c3ccccc3)c3ccccc3)n1)N=C[N]2 |
|
AD16000 | 6.12 | 648.62 | C36H28O10N2 | COc1cc(C(=O)Nc2cc3ccc(O)c(C)c3oc2=O)cc(-c2cc(C(=O)Nc3cc4ccc(O)c(C)c4oc3=O)ccc2OC)c1 |