| BioID | bio82920 |
|---|
| Name | LOMIBUVIR |
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| ChEMBL ID | CHEMBL3039503 |
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| Molecular Formula | C25H35NO4S |
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| Molecular Weight | 445.63 |
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| Molecular Weight (Monoisotopic) | 445.2287 |
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| Type | Small molecule |
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| Max Phase | Phase 2 |
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| Target ID | Tar58 |
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| Target Name | None |
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| Synonyms | LOMIBUVIR|VCH-222|VX-222 |
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| Smiles | CC(C)(C)C#Cc1cc(N(C(=O)[C@H]2CC[C@H](C)CC2)[C@H]2CC[C@H](O)CC2)c(C(=O)O)s1 |
|---|
| Inchi | InChI=1S/C25H35NO4S/c1-16-5-7-17(8-6-16)23(28)26(18-9-11-19(27)12-10-18)21-15-20(13-14-25(2,3)4)31-22(21)24(29)30/h15-19,27H,5-12H2,1-4H3,(H,29,30)/t16-,17-,18-,19- |
|---|
| Inchi Key | WPMJNLCLKAKMLA-VVPTUSLJSA-N |
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| Molecular Species | ACID |
|---|
| Targets | 7.0 |
|---|
| Bioactivities | 26.0 |
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| Np Likeness Score | -0.42 |
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| Records Key | ['lomibuvir', '3, Lomibuvir', 'LOMIBUVIR', 'LOMIBUVIR', '1', '1'] |
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| Records Name | ['Lomibuvir', '5-(3,3-Dimethylbut-1-ynyl)-3-((trans)-N-((trans)-4-hydroxycyclohexyl)-4-methylcyclohexanecarboxamido)thiophene-2-carboxylic acid', 'LOMIBUVIR', 'LOMIBUVIR', 'Lomibuvir', '5-(3,3-dimethylbut-1-yn-1-yl)-3-((trans)-N-((trans)-4-hydroxycyclohexyl)-4-methylcyclohexanecarboxamido)thiophene-2-carboxylic acid'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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