Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LKYR07
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| Ligand Name |
2-Chloro-4-{[2-(4-Methylpiperazin-1-Yl)-3,4-Dioxocyclobut-1-En-1-Yl]amino}phenyl Alpha-D-Mannopyranoside
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| Synonyms |
2-Chloro-4-{[2-(4-Methylpiperazin-1-Yl)-3,4-Dioxocyclobut-1-En-1-Yl]amino}phenyl Alpha-D-Mannopyranoside; CHEMBL2177628; Q27454236; 3XO
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| Structure |
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Download2D MOL |
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| Formula |
C21H26ClN3O8
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| Canonical SMILES |
CN1CCN(CC1)C2=C(C(=O)C2=O)NC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)Cl
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| InChI |
1S/C21H26ClN3O8/c1-24-4-6-25(7-5-24)15-14(17(28)18(15)29)23-10-2-3-12(11(22)8-10)32-21-20(31)19(30)16(27)13(9-26)33-21/h2-3,8,13,16,19-21,23,26-27,30-31H,4-7,9H2,1H3/t13-,16-,19+,20+,21+/m1/s1
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| InChIKey |
OVFSRWMGARZIAS-YVNBQAQUSA-N
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| PubChem Compound ID | ||||
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