Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B1IUY8
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| Binder Name |
2-(3-Oxo-6-hydroxy-3H-xanthene-9-yl)-5-[3-[4-(aminomethyl)benzyl]-3-[4-[1,4-dioxo-4-(sodiooxy)-2-butenylhydroxyamino]butyl]thioureido]benzoic acid sodium salt
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| Synonyms |
CHEMBL2392184
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C37H32N4Na2O9S
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| Canonical SMILES |
C1=CC(=CC=C1CN)CN(CCCCN(C(=O)/C=C/C(=O)O)[O-])C(=S)NC2=CC(=C(C=C2)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)[O-])C(=O)O.[Na+].[Na+]
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| InChI |
1S/C37H33N4O9S.2Na/c38-20-22-3-5-23(6-4-22)21-40(15-1-2-16-41(49)33(44)13-14-34(45)46)37(51)39-24-7-10-27(30(17-24)36(47)48)35-28-11-8-25(42)18-31(28)50-32-19-26(43)9-12-29(32)35;;/h3-14,17-19,42H,1-2,15-16,20-21,38H2,(H,39,51)(H,45,46)(H,47,48);;/q-1;2*+1/p-1/b14-13+;;
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| InChIKey |
PCIOMRRFYBIAJE-QDBORUFSSA-M
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| PubChem Compound ID | ||||
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