Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LKB3H9
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| Ligand Name |
1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide
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| Synonyms |
1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide
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| Structure |
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Download2D MOL |
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| Formula |
C24H28ClN4O3+
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| Canonical SMILES |
CC1=C(C(=NN1)C2=C(C=C(C=C2)OCC[NH+]3CCC(CC3)C(=O)N)O)C4=CC=C(C=C4)Cl
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| InChI |
1S/C24H27ClN4O3/c1-15-22(16-2-4-18(25)5-3-16)23(28-27-15)20-7-6-19(14-21(20)30)32-13-12-29-10-8-17(9-11-29)24(26)31/h2-7,14,17,30H,8-13H2,1H3,(H2,26,31)(H,27,28)/p+1
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| InChIKey |
FIAWYOJOIHFYFE-UHFFFAOYSA-O
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| PubChem Compound ID | ||||
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