Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L27YNV
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| Ligand Name |
3-[4-[5-[4-[[4-(Acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate
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| Synonyms |
3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate; I1G
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| Structure |
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Download2D MOL |
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| Formula |
C31H39Cl2N7O4+2
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| Canonical SMILES |
CC(=O)NCC1CC[NH+](CC1)CC2=CC(=NC(=C2)OC3=CN=C(N=C3)N4CC[NH+](CC4)CCC(=O)O)C5=CC(=CC(=C5)Cl)Cl
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| InChI |
1S/C31H37Cl2N7O4/c1-21(41)34-17-22-2-5-39(6-3-22)20-23-12-28(24-14-25(32)16-26(33)15-24)37-29(13-23)44-27-18-35-31(36-19-27)40-10-8-38(9-11-40)7-4-30(42)43/h12-16,18-19,22H,2-11,17,20H2,1H3,(H,34,41)(H,42,43)/p+2
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| InChIKey |
DIZGFRSKRZZKAK-UHFFFAOYSA-P
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| PubChem Compound ID | ||||
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