| BioID | bio197466 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1277039 |
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| Molecular Formula | C26H20ClN3O2 |
|---|
| Molecular Weight | 441.92 |
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| Molecular Weight (Monoisotopic) | 441.1244 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
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| Synonyms | N-(2-Chlorobenzoyl)Evodiamine |
|---|
| Smiles | CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccccc4Cl)c4ccccc34)C21 |
|---|
| Inchi | InChI=1S/C26H20ClN3O2/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 | AOXYRDCHANSRMV-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | -0.48 |
|---|
| Records Key | ['29p'] |
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| Records Name | ['N-(2-Chlorobenzoyl)evodiamine'] |
|---|
| Withdrawn Flag | False |
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| Orphan | -1 |
|---|
