Bioactive Compound Details
| BioID | bio200185 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL401214 |
| Molecular Formula | C22H26N2O3 |
| Molecular Weight | 366.46 |
| Molecular Weight (Monoisotopic) | 366.1943 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Hydroxyethyl (3S,16R)-Apovincaminate |
| Smiles | CC[C@]12C=C(C(=O)OCCO)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 |
| Inchi | InChI=1S/C22H26N2O3/c1-2-22-9-5-10-23-11-8-16-15-6-3-4-7-17(15)24(19(16)20(22)23)18(14-22)21(26)27-13-12-25/h3-4,6-7,14,20,25H,2,5,8-13H2,1H3/t20-,22-/m1/s1 |
| Inchi Key | WBEVCQPAHIHTRP-IFMALSPDSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 0.84 |
| Records Key | ['4b'] |
| Records Name | ['2-hydroxyethyl (3S,16R)-apovincaminate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
