Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L03BEP
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| Ligand Name |
5-{[({2-[4-(Aminosulfonyl)phenyl]ethyl}amino)carbonothioyl]amino}-2-(6-Hydroxy-3-Oxo-3h-Xanthen-9-Yl)benzoic Acid
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| Synonyms |
CHEMBL186522; CHEMBL1232755; 5-{[({2-[4-(Aminosulfonyl)phenyl]ethyl}amino)carbonothioyl]amino}-2-(6-Hydroxy-3-Oxo-3h-Xanthen-9-Yl)benzoic Acid; SCHEMBL10292504; 2f14; BDBM50170754; BDBM50493327; Q27460327; 1-[4-(3-Oxo-6-hydroxy-3H-xanthene-9-yl)-3-carboxyphenyl]-3-(4-sulfamoylphenethyl)thiourea; 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-5-{3-[2-(4-sulfamoyl-phenyl)-ethyl]-thioureido}-benzoic acid
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| Structure |
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Download2D MOL |
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| Formula |
C29H23N3O7S2
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| Canonical SMILES |
C1=CC(=CC=C1CCNC(=S)NC2=CC(=C(C=C2)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O)C(=O)O)S(=O)(=O)N
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| InChI |
1S/C29H23N3O7S2/c30-41(37,38)20-6-1-16(2-7-20)11-12-31-29(40)32-17-3-8-21(24(13-17)28(35)36)27-22-9-4-18(33)14-25(22)39-26-15-19(34)5-10-23(26)27/h1-10,13-15,33H,11-12H2,(H,35,36)(H2,30,37,38)(H2,31,32,40)
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| InChIKey |
ZXJGFVGTIKDQMI-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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