Bioactive Compound Details
| BioID | bio2290 |
|---|---|
| Name | ROXIFIBAN ACETATE |
| ChEMBL ID | CHEMBL2107050 |
| Molecular Formula | C23H33N5O8 |
| Molecular Weight | 507.54 |
| Molecular Weight (Monoisotopic) | 447.2118 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | DMP 754|DMP-754|ROXIFIBAN ACETATE |
| Smiles | CC(=O)O.CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(c2ccc(C(=N)N)cc2)=NO1)C(=O)OC |
| Inchi | InChI=1S/C21H29N5O6.C2H4O2/c1-3-4-9-31-21(29)25-17(20(28)30-2)12-24-18(27)11-15-10-16(26-32-15)13-5-7-14(8-6-13)19(22)23;1-2(3)4/h5-8,15,17H,3-4,9-12H2,1-2H3,(H3,22,23)(H,24,27)(H,25,29);1H3,(H,3,4)/t15-,17+;/m1./s1 |
| Inchi Key | WDEMHBVIYZGQCD-KALLACGZSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.48 |
| Records Key | ['ROXIFIBAN ACETATE'] |
| Records Name | ['ROXIFIBAN ACETATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
