Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LJST03
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| Ligand Name |
(2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium
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| Synonyms |
(2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium; EWS
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| Structure |
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Download2D MOL |
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| Formula |
C21H22BrClN3O+
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| Canonical SMILES |
C1C[NH2+]C(CC1NC(=O)C2=CNC3=C2C=C(C=C3)Br)CC4=CC=C(C=C4)Cl
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| InChI |
1S/C21H21BrClN3O/c22-14-3-6-20-18(10-14)19(12-25-20)21(27)26-16-7-8-24-17(11-16)9-13-1-4-15(23)5-2-13/h1-6,10,12,16-17,24-25H,7-9,11H2,(H,26,27)/p+1/t16-,17+/m0/s1
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| InChIKey |
GGXKHDYKPGTZBA-DLBZAZTESA-O
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| PubChem Compound ID | ||||
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