Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LAK6G3
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| Ligand Name |
3-{5-[(2e,4ar,7ar)-6-(5-Fluoro-4-Methoxypyrimidin-2-Yl)-2-Imino-3-Methyl-4-Oxooctahydro-7ah-Pyrrolo[3,4-D]pyrimidin-7a-Yl]thiophen-3-Yl}benzonitrile
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| Synonyms |
CHEMBL3800286; 3-{5-[(2e,4ar,7ar)-6-(5-Fluoro-4-Methoxypyrimidin-2-Yl)-2-Imino-3-Methyl-4-Oxooctahydro-7ah-Pyrrolo[3,4-D]pyrimidin-7a-Yl]thiophen-3-Yl}benzonitrile; BDBM50164512; Q27456150; 60W
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| Structure |
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Download2D MOL |
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| Formula |
C23H20FN7O2S
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| Canonical SMILES |
CN1C(=O)C2CN(CC2(N=C1N)C3=CC(=CS3)C4=CC=CC(=C4)C#N)C5=NC=C(C(=N5)OC)F
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| InChI |
1S/C23H20FN7O2S/c1-30-20(32)16-10-31(22-27-9-17(24)19(28-22)33-2)12-23(16,29-21(30)26)18-7-15(11-34-18)14-5-3-4-13(6-14)8-25/h3-7,9,11,16H,10,12H2,1-2H3,(H2,26,29)/t16-,23-/m0/s1
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| InChIKey |
UKGROMSNWKWCLS-HJPURHCSSA-N
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| PubChem Compound ID | ||||
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