| BioID | bio199105 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1277404 |
|---|
| Molecular Formula | C26H20FN3O2 |
|---|
| Molecular Weight | 425.46 |
|---|
| Molecular Weight (Monoisotopic) | 425.154 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | N-(2-Fluorobenzoyl)Evodiamine |
|---|
| Smiles | CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccccc4F)c4ccccc34)C21 |
|---|
| Inchi | InChI=1S/C26H20FN3O2/c1-28-21-12-6-4-10-19(21)25(31)29-15-14-17-16-8-3-7-13-22(16)30(23(17)24(28)29)26(32)18-9-2-5-11-20(18)27/h2-13,24H,14-15H2,1H3 |
|---|
| Inchi Key | KOFRRNUJDGKRJS-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | -0.56 |
|---|
| Records Key | ['29w'] |
|---|
| Records Name | ['N-(2-Fluorobenzoyl)evodiamine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
