Bioactive Compound Details
| BioID | bio199085 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1806764 |
| Molecular Formula | C17H20N4O4 |
| Molecular Weight | 344.37 |
| Molecular Weight (Monoisotopic) | 344.1485 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 8-[2-(Benzyloxy)Ethoxy]Caffeine |
| Smiles | Cn1c(=O)c2c(nc(OCCOCc3ccccc3)n2C)n(C)c1=O |
| Inchi | InChI=1S/C17H20N4O4/c1-19-13-14(20(2)17(23)21(3)15(13)22)18-16(19)25-10-9-24-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3 |
| Inchi Key | DGRYDLBMVMQPGB-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | -1.15 |
| Records Key | ['5j'] |
| Records Name | ['8-[2-(Benzyloxy)ethoxy]caffeine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
