Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L6D7CS
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| Ligand Name |
2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol
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| Synonyms |
CHEMBL4649135; 2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol; CJM; SCHEMBL23682927; BDBM50540077
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| Structure |
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Download2D MOL |
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| Formula |
C22H26F2N8O
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| Canonical SMILES |
CCN1C=NC2=C(N=C(N=C21)N3CCCCC3CCO)NCC4=NC5=C(N4)C=CC(=C5F)F
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| InChI |
1S/C22H26F2N8O/c1-2-31-12-26-19-20(25-11-16-27-15-7-6-14(23)17(24)18(15)28-16)29-22(30-21(19)31)32-9-4-3-5-13(32)8-10-33/h6-7,12-13,33H,2-5,8-11H2,1H3,(H,27,28)(H,25,29,30)/t13-/m0/s1
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| InChIKey |
HVFVQLFPRQYJTR-ZDUSSCGKSA-N
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| PubChem Compound ID | ||||
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