| BioID | bio200141 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1956547 |
|---|
| Molecular Formula | C17H23ClO3 |
|---|
| Molecular Weight | 310.82 |
|---|
| Molecular Weight (Monoisotopic) | 310.1336 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
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| Synonyms | 2-Chloroethyl Rupestonate |
|---|
| Smiles | C=C(C(=O)OCCCl)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 |
|---|
| Inchi | InChI=1S/C17H23ClO3/c1-10-4-5-13(11(2)17(20)21-7-6-18)8-15-12(3)16(19)9-14(10)15/h10,13-14H,2,4-9H2,1,3H3/t10-,13+,14-/m0/s1 |
|---|
| Inchi Key | HUIHKBLOZRTENN-GDLCADMTSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | 1.89 |
|---|
| Records Key | ['2-chloroethyl rupestonate'] |
|---|
| Records Name | ['2-chloroethyl rupestonate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
