Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L18EJP
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| Ligand Name |
N-[(3s)-1,1-Dioxidotetrahydro-2h-Thiopyran-3-Yl]-4-(4-{[(3s)-3-Hydroxy-1-Azabicyclo[2.2.2]oct-3-Yl]ethynyl}phenoxy)benzamide
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| Synonyms |
N-[(3s)-1,1-Dioxidotetrahydro-2h-Thiopyran-3-Yl]-4-(4-{[(3s)-3-Hydroxy-1-Azabicyclo[2.2.2]oct-3-Yl]ethynyl}phenoxy)benzamide; Q27454190; 3W5
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| Structure |
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Download2D MOL |
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| Formula |
C27H30N2O5S
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| Canonical SMILES |
C1CC(CS(=O)(=O)C1)NC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C#CC4(CN5CCC4CC5)O
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| InChI |
1S/C27H30N2O5S/c30-26(28-23-2-1-17-35(32,33)18-23)21-5-9-25(10-6-21)34-24-7-3-20(4-8-24)11-14-27(31)19-29-15-12-22(27)13-16-29/h3-10,22-23,31H,1-2,12-13,15-19H2,(H,28,30)/t23-,27-/m0/s1
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| InChIKey |
IOEYWFCDGXVEFG-HOFKKMOUSA-N
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| PubChem Compound ID | ||||
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