Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L18ODY
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| Ligand Name |
4-{[(2s)-2-Cyclohexyl-2-{5,6-Difluoro-2-[4-(1,3-Thiazol-2-Yl)phenyl]-1h-Benzimidazol-1-Yl}acetyl]amino}benzoic Acid
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| Synonyms |
4-{[(2s)-2-Cyclohexyl-2-{5,6-Difluoro-2-[4-(1,3-Thiazol-2-Yl)phenyl]-1h-Benzimidazol-1-Yl}acetyl]amino}benzoic Acid; FXR_36; BDBM225946; 9N7
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| Structure |
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Download2D MOL |
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| Formula |
C31H26F2N4O3S
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| Canonical SMILES |
C1CCC(CC1)C(C(=O)NC2=CC=C(C=C2)C(=O)O)N3C4=CC(=C(C=C4N=C3C5=CC=C(C=C5)C6=NC=CS6)F)F
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| InChI |
1S/C31H26F2N4O3S/c32-23-16-25-26(17-24(23)33)37(28(36-25)19-6-8-20(9-7-19)30-34-14-15-41-30)27(18-4-2-1-3-5-18)29(38)35-22-12-10-21(11-13-22)31(39)40/h6-18,27H,1-5H2,(H,35,38)(H,39,40)/t27-/m0/s1
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| InChIKey |
DUGIQUVAQZHWSE-MHZLTWQESA-N
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| PubChem Compound ID | ||||
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