Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LC13XL
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| Ligand Name |
N-{n'-(2-Methyl-1-Benzofuran-5-Yl)-N-[(3s)-2-Oxo-1-(2-Oxo-2-Pyrrolidin-1-Ylethyl)azepan-3-Yl]carbamimidoyl}pyridine-3-Carboxamide
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| Synonyms |
N-{n'-(2-Methyl-1-Benzofuran-5-Yl)-N-[(3s)-2-Oxo-1-(2-Oxo-2-Pyrrolidin-1-Ylethyl)azepan-3-Yl]carbamimidoyl}pyridine-3-Carboxamide; nicotinoyl guanidine, 22; CHEMBL567904; BDBM35302; Q27463061
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| Structure |
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Download2D MOL |
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| Formula |
C28H32N6O4
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| Canonical SMILES |
CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5=CN=CC=C5
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| InChI |
1S/C28H32N6O4/c1-19-15-21-16-22(9-10-24(21)38-19)30-28(32-26(36)20-7-6-11-29-17-20)31-23-8-2-3-14-34(27(23)37)18-25(35)33-12-4-5-13-33/h6-7,9-11,15-17,23H,2-5,8,12-14,18H2,1H3,(H2,30,31,32,36)/t23-/m0/s1
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| InChIKey |
GNYXHJVKEWBHAI-QHCPKHFHSA-N
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| PubChem Compound ID | ||||
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