| BioID | bio197104 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL2036383 |
|---|
| Molecular Formula | C23H33NaO7 |
|---|
| Molecular Weight | 443.5 |
|---|
| Molecular Weight (Monoisotopic) | 422.2305 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | [11C]2',3'-dehydropravastatin |
|---|
| Smiles | C/C(=C\[11CH3])C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21.[Na+] |
|---|
| Inchi | InChI=1S/C23H34O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h4-6,9,14,16-20,22,24-26H,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/b13-4+;/t14-,16+,17+,18+,19-,20-,22-;/m0./s1/i1-1; |
|---|
| Inchi Key | CYINOXHCAOSTNA-ZPAOGMCRSA-M |
|---|
| Molecular Species | ACID |
|---|
| Targets | 7.0 |
|---|
| Bioactivities | 15.0 |
|---|
| Np Likeness Score | 2.54 |
|---|
| Records Key | [[11C]4, [11C]2',3'-dehydropravastatin"]" |
|---|
| Records Name | ['sodium(3R,5R)-3,5-dihydroxy-7-((1S,2S,6S,8S)-6-hydroxy-2-methyl-8-((1-[11C]-(E)-2-methylbut-2-enoyl)oxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptanoate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
