| BioID | bio198093 |
|---|
| Name | 7-(2-PENTYNYLOXY)COUMARIN |
|---|
| ChEMBL ID | CHEMBL2268532 |
|---|
| Molecular Formula | C14H12O3 |
|---|
| Molecular Weight | 228.25 |
|---|
| Molecular Weight (Monoisotopic) | 228.0786 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | None |
|---|
| Smiles | CCC#CCOc1ccc2ccc(=O)oc2c1 |
|---|
| Inchi | InChI=1S/C14H12O3/c1-2-3-4-9-16-12-7-5-11-6-8-14(15)17-13(11)10-12/h5-8,10H,2,9H2,1H3 |
|---|
| Inchi Key | XFWZLFMHGVFWHA-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 7.0 |
|---|
| Bioactivities | 12.0 |
|---|
| Np Likeness Score | 0.11 |
|---|
| Records Key | ['2v', '11', '9'] |
|---|
| Records Name | ['7-(2-Pentynyloxy)coumarin', 7-(2'-Pentyloxy)coumarin", "7-(pent-2'-ynil)coumarin"]" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
