Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L6NTW8
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| Ligand Name |
4-[[2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-4-oxoimidazo[2,1-b]purin-5-yl]methyl]benzonitrile
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| Structure |
 |
Download2D MOL |
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| Formula |
C24H24N8O
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| Canonical SMILES |
CC#CCN1C2=C(N=C1N3CCCC(C3)N)N4C=CN=C4N(C2=O)CC5=CC=C(C=C5)C#N
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| InChI |
1S/C24H24N8O/c1-2-3-12-30-20-21(28-24(30)29-11-4-5-19(26)16-29)31-13-10-27-23(31)32(22(20)33)15-18-8-6-17(14-25)7-9-18/h6-10,13,19H,4-5,11-12,15-16,26H2,1H3/t19-/m1/s1
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| InChIKey |
KWDNXNYGKOAJBG-LJQANCHMSA-N
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| PubChem Compound ID | ||||
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