| BioID | bio199009 |
|---|
| Name | PENTANE-1,5-DI-(2-ETHYLHEXANOATE) |
|---|
| ChEMBL ID | CHEMBL2268562 |
|---|
| Molecular Formula | C19H36O4 |
|---|
| Molecular Weight | 328.49 |
|---|
| Molecular Weight (Monoisotopic) | 328.2614 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | None |
|---|
| Smiles | CCCC(CC)C(=O)OCCCCCOC(=O)C(CC)CCC |
|---|
| Inchi | InChI=1S/C19H36O4/c1-5-12-16(7-3)18(20)22-14-10-9-11-15-23-19(21)17(8-4)13-6-2/h16-17H,5-15H2,1-4H3 |
|---|
| Inchi Key | MIHJLQYRGDYEEJ-UHFFFAOYSA-N |
|---|
| Molecular Species | None |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 12.0 |
|---|
| Np Likeness Score | 0.03 |
|---|
| Records Key | ['46'] |
|---|
| Records Name | ['Pentane-1,5-di-(2-ethylhexanoate)'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
