| BioID | bio199101 |
|---|
| Name | ACETYLTRIBUTYL CITRATE |
|---|
| ChEMBL ID | CHEMBL1904556 |
|---|
| Molecular Formula | C20H34O8 |
|---|
| Molecular Weight | 402.48 |
|---|
| Molecular Weight (Monoisotopic) | 402.2254 |
|---|
| Type | Small molecule |
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| Max Phase | Unknown |
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| Target ID | Tar81 |
|---|
| Target Name | None |
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| Synonyms | 2-ACETYLTRIBUTYLCITRATE|ACETYL TRIBUTYL CITRATE|ACETYLTRIBUTYL CITRATE|FEMA NO. 3080|NSC-3894 |
|---|
| Smiles | CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC |
|---|
| Inchi | InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3 |
|---|
| Inchi Key | QZCLKYGREBVARF-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 64.0 |
|---|
| Bioactivities | 66.0 |
|---|
| Np Likeness Score | 0.38 |
|---|
| Records Key | ['SID70314', 'SID26757574', 'SID144213445', 'ACETYLTRIBUTYL CITRATE', 'SID144208977', 'SID144206330'] |
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| Records Name | ['SID70314', 'SID26757574', 'SID144213445', 'ACETYLTRIBUTYL CITRATE', 'SID144208977', 'SID144206330'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
