Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L0WUM6
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| Ligand Name |
2-(6-Hydroxy-3-Oxo-3h-Xanthen-9-Yl)-5-[({[1-(4-Sulfamoylphenyl)-1h-1,2,3-Triazol-4-Yl]methyl}carbamothioyl)amino]benzoic Acid
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| Synonyms |
CHEMBL3741975; 2-(6-Hydroxy-3-Oxo-3h-Xanthen-9-Yl)-5-[({[1-(4-Sulfamoylphenyl)-1h-1,2,3-Triazol-4-Yl]methyl}carbamothioyl)amino]benzoic Acid; BDBM50500058; J3.527.015I; Q27460231; 2-(3-Oxo-6-hydroxy-3H-xanthene-9-yl)-5-[3-[[1-(4-sulfamoylphenyl)-1H-1,2,3-triazole-4-yl]methyl]thioureido]benzoic acid
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| Structure |
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Download2D MOL |
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| Formula |
C30H22N6O7S2
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| Canonical SMILES |
C1=CC(=CC=C1N2C=C(N=N2)CNC(=S)NC3=CC(=C(C=C3)C4=C5C=CC(=O)C=C5OC6=C4C=CC(=C6)O)C(=O)O)S(=O)(=O)N
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| InChI |
1S/C30H22N6O7S2/c31-45(41,42)21-6-2-18(3-7-21)36-15-17(34-35-36)14-32-30(44)33-16-1-8-22(25(11-16)29(39)40)28-23-9-4-19(37)12-26(23)43-27-13-20(38)5-10-24(27)28/h1-13,15,37H,14H2,(H,39,40)(H2,31,41,42)(H2,32,33,44)
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| InChIKey |
YKWZALQMWYUDGJ-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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