Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LJ6X1W
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| Ligand Name |
2-({2-[(3r)-3-Aminopiperidin-1-Yl]-5-Methyl-6,9-Dioxo-5,6,7,9-Tetrahydro-1h-Imidazo[1,2-A]purin-1-Yl}methyl)-4-Fluorobenzonitrile
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| Synonyms |
2-({2-[(3r)-3-Aminopiperidin-1-Yl]-5-Methyl-6,9-Dioxo-5,6,7,9-Tetrahydro-1h-Imidazo[1,2-A]purin-1-Yl}methyl)-4-Fluorobenzonitrile; CHEMBL3687984; SCHEMBL14554320; Q27456296; 6AJ
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| Structure |
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Download2D MOL |
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| Formula |
C21H21FN8O2
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| Canonical SMILES |
CN1C(=O)CN2C1=NC3=C(C2=O)N(C(=N3)N4CCCC(C4)N)CC5=C(C=CC(=C5)F)C#N
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| InChI |
1S/C21H21FN8O2/c1-27-16(31)11-30-19(32)17-18(25-20(27)30)26-21(28-6-2-3-15(24)10-28)29(17)9-13-7-14(22)5-4-12(13)8-23/h4-5,7,15H,2-3,6,9-11,24H2,1H3/t15-/m1/s1
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| InChIKey |
KMOYVYIQCXEQDG-OAHLLOKOSA-N
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| PubChem Compound ID | ||||
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