| BioID | bio198139 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1275632 |
|---|
| Molecular Formula | C26H22ClN3O |
|---|
| Molecular Weight | 427.94 |
|---|
| Molecular Weight (Monoisotopic) | 427.1451 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | N-(2-Chlorobenzyl)Evodiamine |
|---|
| Smiles | CN1c2ccccc2C(=O)N2CCc3c(n(Cc4ccccc4Cl)c4ccccc34)C21 |
|---|
| Inchi | InChI=1S/C26H22ClN3O/c1-28-22-12-6-4-10-20(22)26(31)29-15-14-19-18-9-3-7-13-23(18)30(24(19)25(28)29)16-17-8-2-5-11-21(17)27/h2-13,25H,14-16H2,1H3 |
|---|
| Inchi Key | SKNXCPPIOMWSRW-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | -0.62 |
|---|
| Records Key | ['29g'] |
|---|
| Records Name | ['N-(2-Chlorobenzyl)evodiamine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
