Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L38SUV
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| Ligand Name |
N-[[1-[[2-[3,5-bis(chloranyl)phenyl]-6-[6-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]pyridin-3-yl]oxy-pyridin-4-yl]methyl]piperidin-1-ium-4-yl]methyl]ethanamide
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| Synonyms |
N-[[1-[[2-[3,5-bis(chloranyl)phenyl]-6-[6-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]pyridin-3-yl]oxy-pyridin-4-yl]methyl]piperidin-1-ium-4-yl]methyl]ethanamide; I0T
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| Structure |
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Download2D MOL |
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| Formula |
C32H42Cl2N6O3+2
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| Canonical SMILES |
CC(=O)NCC1CC[NH+](CC1)CC2=CC(=NC(=C2)OC3=CN=C(C=C3)N4CC[NH+](CC4)CCOC)C5=CC(=CC(=C5)Cl)Cl
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| InChI |
1S/C32H40Cl2N6O3/c1-23(41)35-20-24-5-7-39(8-6-24)22-25-15-30(26-17-27(33)19-28(34)18-26)37-32(16-25)43-29-3-4-31(36-21-29)40-11-9-38(10-12-40)13-14-42-2/h3-4,15-19,21,24H,5-14,20,22H2,1-2H3,(H,35,41)/p+2
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| InChIKey |
AUPHEGBHBGKBKL-UHFFFAOYSA-P
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| PubChem Compound ID | ||||
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