Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LD37FA
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| Ligand Name |
4-({5-Bromo-1'-[(2-Chlorophenyl)sulfonyl]-2-Oxospiro[indole-3,4'-Piperidin]-1(2h)-Yl}methyl)benzoic Acid
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| Synonyms |
FXR_12; BDBM225923; 4-({5-Bromo-1'-[(2-Chlorophenyl)sulfonyl]-2-Oxospiro[indole-3,4'-Piperidin]-1(2h)-Yl}methyl)benzoic Acid; 9LV
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| Structure |
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Download2D MOL |
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| Formula |
C26H22BrClN2O5S
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| Canonical SMILES |
C1CN(CCC12C3=C(C=CC(=C3)Br)N(C2=O)CC4=CC=C(C=C4)C(=O)O)S(=O)(=O)C5=CC=CC=C5Cl
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| InChI |
1S/C26H22BrClN2O5S/c27-19-9-10-22-20(15-19)26(25(33)30(22)16-17-5-7-18(8-6-17)24(31)32)11-13-29(14-12-26)36(34,35)23-4-2-1-3-21(23)28/h1-10,15H,11-14,16H2,(H,31,32)
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| InChIKey |
SWIFZZMVSPDAPN-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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