| BioID | bio2110 |
|---|
| Name | EPLIVANSERIN FUMARATE |
|---|
| ChEMBL ID | CHEMBL2103845 |
|---|
| Molecular Formula | C42H46F2N4O8 |
|---|
| Molecular Weight | 772.85 |
|---|
| Molecular Weight (Monoisotopic) | 328.1587 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Unknown |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | EPLIVANSERIN FUMARATE|EPLIVANSERIN HEMIFUMARATE|SR-46349B|SR46349B |
|---|
| Smiles | CN(C)CCO/N=C(/C=C/c1ccc(O)cc1)c1ccccc1F.CN(C)CCO/N=C(/C=C/c1ccc(O)cc1)c1ccccc1F.O=C(O)/C=C/C(=O)O |
|---|
| Inchi | InChI=1S/2C19H21FN2O2.C4H4O4/c2*1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15;5-3(6)1-2-4(7)8/h2*3-12,23H,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b2*12-9+,21-19-;2-1+ |
|---|
| Inchi Key | RNLKLYQQDLHHBH-ABDBJYMXSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -0.57 |
|---|
| Records Key | ['EPLIVANSERIN FUMARATE'] |
|---|
| Records Name | ['EPLIVANSERIN FUMARATE'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
