Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LAYU18
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| Ligand Name |
Trans-4-({(2s)-2-Cyclohexyl-2-[2-(2,6-Dimethoxypyridin-3-Yl)-5-Fluoro-1h-Benzimidazol-1-Yl]acetyl}amino)cyclohexane-1-Carboxylic Acid
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| Synonyms |
Trans-4-({(2s)-2-Cyclohexyl-2-[2-(2,6-Dimethoxypyridin-3-Yl)-5-Fluoro-1h-Benzimidazol-1-Yl]acetyl}amino)cyclohexane-1-Carboxylic Acid; FXR_30; BDBM225940; 9NJ
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| Structure |
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Download2D MOL |
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| Formula |
C29H35FN4O5
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| Canonical SMILES |
COC1=NC(=C(C=C1)C2=NC3=C(N2C(C4CCCCC4)C(=O)NC5CCC(CC5)C(=O)O)C=CC(=C3)F)OC
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| InChI |
1S/C29H35FN4O5/c1-38-24-15-13-21(28(33-24)39-2)26-32-22-16-19(30)10-14-23(22)34(26)25(17-6-4-3-5-7-17)27(35)31-20-11-8-18(9-12-20)29(36)37/h10,13-18,20,25H,3-9,11-12H2,1-2H3,(H,31,35)(H,36,37)/t18?,20?,25-/m0/s1
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| InChIKey |
JHVYRIYZUSZRSR-WNEJPSKBSA-N
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| PubChem Compound ID | ||||
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