Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LAG48Q
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| Ligand Name |
4-({5-Bromo-2-Oxo-1'-[(Thiophen-2-Yl)sulfonyl]spiro[indole-3,4'-Piperidin]-1(2h)-Yl}methyl)benzoic Acid
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| Synonyms |
FXR_10; BDBM225921; 4-({5-Bromo-2-Oxo-1'-[(Thiophen-2-Yl)sulfonyl]spiro[indole-3,4'-Piperidin]-1(2h)-Yl}methyl)benzoic Acid; 9MV
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| Structure |
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Download2D MOL |
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| Formula |
C24H21BrN2O5S2
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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=CS5
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| InChI |
1S/C24H21BrN2O5S2/c25-18-7-8-20-19(14-18)24(9-11-26(12-10-24)34(31,32)21-2-1-13-33-21)23(30)27(20)15-16-3-5-17(6-4-16)22(28)29/h1-8,13-14H,9-12,15H2,(H,28,29)
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| InChIKey |
GNPZBVGDUWGWDJ-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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