Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LI23WX
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| Ligand Name |
4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile
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| Synonyms |
4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile; SCHEMBL21067444; DB07421; Q27096643
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| Structure |
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Download2D MOL |
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| Formula |
C18H16F3N3O5
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| Canonical SMILES |
CC(COC1=CC=C(C=C1)[N+](=O)[O-])(C(NC2=CC(=C(C=C2)C#N)C(F)(F)F)O)O
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| InChI |
1S/C18H16F3N3O5/c1-17(26,10-29-14-6-4-13(5-7-14)24(27)28)16(25)23-12-3-2-11(9-22)15(8-12)18(19,20)21/h2-8,16,23,25-26H,10H2,1H3/t16-,17+/m1/s1
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| InChIKey |
INVUBEGZQHQAMY-SJORKVTESA-N
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| PubChem Compound ID | ||||
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