aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD18601 | 3.23 | 399.62 | C14H11N5ClI | Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21 |
|
AD18602 | 3.07 | 290.4 | C18H26O3 | CC12CCC3C(CC=C4CC(O)CCC43C)C1COC2=O |
|
AD18603 | 3.01 | 310.4 | C19H22O2N2 | CC=C1CN2CCC1CC2C(O)c1ccnc2ccc(O)cc12 |
|
AD18604 | 0.41 | 301.3 | C12H19O6N3 | COC(=O)C1CC(O)C(OCCN=[N+]=[N-])CC1C(=O)OC |
|
AD18605 | 5.97 | 2509.19 | C122H123O35N19Cl4 | CNC(CC(C)C)C(=O)NC1Cc2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C(O)C2NC(=O)C(NC(=O)C3NC(=O)C(CC(=O)O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)NCCOCCOCCOCCn1cc(CCNC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C5NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(CC(C)C)NC)Cc6ccc(c(Cl)c6)Oc6cc5cc(c6O)Oc5ccc(cc5Cl)C4O)c4ccc(O)c(c4)-c4c(O)cc(O)cc43)nn1)NC2=O |
|
AD18606 | 1.34 | 871.86 | C41H45O13N9 | COc1ccc2c(c1)Oc1cc(O)ccc1C2=C1C=CC(=Nc2nc(O)nc(NCCCCC(NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)O)C(N)=O)C(=O)O)n2)C=C1C(=O)O |
|
AD18607 | 4.16 | 526.53 | C27H18O6N4S | Cc1ccc(S(=O)(=O)NN2C(=O)c3c(c4c5cccc(O)c5[nH]c4c4[nH]c5c(O)cccc5c34)C2=O)cc1 |
|
AD18608 | 2.42 | 276.73 | C12H7N5ClS | Nc1ncnc2c1C(Sc1ccccc1Cl)=N[N]2 |
|
AD18609 | 2.47 | 353.19 | C15H14O2N2FBr | CNC(=O)c1cc(Br)c(C)n(Cc2ccc(F)cc2)c1=O |
|
AD18610 | 3.4 | 571.67 | C30H41O8N3 | COC1C(C)OC(O)CC1(C)NC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 |