| BioID | bio198460 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1277129 |
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| Molecular Formula | C27H23N3O2 |
|---|
| Molecular Weight | 421.5 |
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| Molecular Weight (Monoisotopic) | 421.179 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | N-(2-Methylbenzoyl)Evodiamine |
|---|
| Smiles | Cc1ccccc1C(=O)n1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)C21 |
|---|
| Inchi | InChI=1S/C27H23N3O2/c1-17-9-3-4-10-18(17)27(32)30-23-14-8-5-11-19(23)20-15-16-29-25(24(20)30)28(2)22-13-7-6-12-21(22)26(29)31/h3-14,25H,15-16H2,1-2H3 |
|---|
| Inchi Key | XLLXLWJIACBLHP-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | -0.36 |
|---|
| Records Key | ['29r'] |
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| Records Name | ['N-(2-Methylbenzoyl)evodiamine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
