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viquidacin , CAS No.904302-98-3
Basic Description
| Synonyms | Viquidacin | 904302-98-3 | Viquidacin [INN] | UNII-0TA0YE45QE | 0TA0YE45QE | NXL-101 | (3R,4R)-4-((3S)-3-(3-Fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl)-1-(2-((thiophen-2-yl)sulfanyl)ethyl)piperidine-3-carboxylic acid | CHEMBL2158050 | nxl101 | (3R,4R)-4-[(3S)-3-(3-fluo |
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| Specifications & Purity | Moligand™ |
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| Grade | Moligand™ |
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Associated Targets(Human)
Associated Targets(non-human)
Names and Identifiers
| IUPAC Name | (3R,4R)-4-[(3S)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylic acid |
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| INCHI | InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1 |
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| InChi Key | USGHRRVFKSLEJT-WVBUVRCRSA-N |
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| Canonical SMILES | COc1ccc2c(c1)c([C@H](CC[C@@H]1CCN(C[C@@H]1C(=O)O)CCSc1cccs1)O)c(cn2)F |
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| Isomeric SMILES | COC1=CC2=C(C(=CN=C2C=C1)F)[C@H](CC[C@@H]3CCN(C[C@@H]3C(=O)O)CCSC4=CC=CS4)O |
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| PubChem CID | 11591505 |
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References
| 1. Surivet JP, Zumbrunn C, Rueedi G, Hubschwerlen C, Bur D, Bruyère T, Locher H, Ritz D, Keck W, Seiler P et al.. (2013) Design, synthesis, and characterization of novel tetrahydropyran-based bacterial topoisomerase inhibitors with potent anti-gram-positive activity.. J Med Chem, 56 (18): (7396-415). [PMID:23968485] |
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