Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L16YQA
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| Ligand Name |
5-(2-Morpholin-4-ylethoxy)benzofuran-2-carboxylic acid ((S)-3-methyl-1-{(S)-3-oxo-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-ylcarbamoyl}butyl)amide
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| Synonyms |
CHEMBL284939; 5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ACID ((S)-3-METHYL-1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE; SCHEMBL15765652; 5-(2-Morpholin-4-yl-ethoxy)-benzofuran-2-carboxylic acid (3-methyl-1-{3-oxo-1-[2-(3-pyridin-2-yl-phenyl)-acetyl]-azepan-4-ylcarbamoyl}-butyl)-amide; BDBM50098576; Q27456656; N-[(S)-2-[[(4S)-1-[[3-(2-Pyridinyl)phenyl]acetyl]-3-oxohexahydro-1H-azepine-4-yl]amino]-1-(2-methylpropyl)-2-oxoethyl]-5-(2-morpholinoethoxy)benzofuran-2-carboxamide
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| Structure |
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Download2D MOL
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| Formula |
C40H47N5O7
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| Canonical SMILES |
CC(C)CC(C(=O)NC1CCCN(CC1=O)C(=O)CC2=CC(=CC=C2)C3=CC=CC=N3)NC(=O)C4=CC5=C(O4)C=CC(=C5)OCCN6CCOCC6
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| InChI |
1S/C40H47N5O7/c1-27(2)21-34(43-40(49)37-25-30-24-31(11-12-36(30)52-37)51-20-17-44-15-18-50-19-16-44)39(48)42-33-10-6-14-45(26-35(33)46)38(47)23-28-7-5-8-29(22-28)32-9-3-4-13-41-32/h3-5,7-9,11-13,22,24-25,27,33-34H,6,10,14-21,23,26H2,1-2H3,(H,42,48)(H,43,49)/t33-,34-/m0/s1
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| InChIKey |
KRMYDWCAHQJBOD-HEVIKAOCSA-N
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| PubChem Compound ID | ||||
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