Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LA6I1Q
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| Ligand Name |
Trans-4-({(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexylacetyl}amino)cyclohexyl Hydrogen Sulfate
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| Synonyms |
Trans-4-({(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexylacetyl}amino)cyclohexyl Hydrogen Sulfate; FXR_35; BDBM225945; 9LP
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| Structure |
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Download2D MOL |
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| Formula |
C27H30ClF2N3O5S
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| Canonical SMILES |
C1CCC(CC1)C(C(=O)NC2CCC(CC2)OS(=O)(=O)O)N3C4=CC(=C(C=C4N=C3C5=CC=C(C=C5)Cl)F)F
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| InChI |
1S/C27H30ClF2N3O5S/c28-18-8-6-17(7-9-18)26-32-23-14-21(29)22(30)15-24(23)33(26)25(16-4-2-1-3-5-16)27(34)31-19-10-12-20(13-11-19)38-39(35,36)37/h6-9,14-16,19-20,25H,1-5,10-13H2,(H,31,34)(H,35,36,37)/t19?,20?,25-/m0/s1
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| InChIKey |
SEHWHKGFYAXJEE-FGJIOPLASA-N
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| PubChem Compound ID | ||||
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