Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BB50FW
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| Binder Name |
(2S,3S,4R,5R)-5-[6-Amino-2-[2-[4-[(3,5-ditert-butylbenzoyl)amino]phenyl]ethylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
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| Synonyms |
CHEMBL2042301; BDBM50385945
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL |
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| Formula |
C35H46N8O5
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| Canonical SMILES |
CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)NC(=O)C5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)N)O)O
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| InChI |
1S/C35H46N8O5/c1-8-37-31(47)27-25(44)26(45)32(48-27)43-18-39-24-28(36)41-33(42-29(24)43)38-14-13-19-9-11-23(12-10-19)40-30(46)20-15-21(34(2,3)4)17-22(16-20)35(5,6)7/h9-12,15-18,25-27,32,44-45H,8,13-14H2,1-7H3,(H,37,47)(H,40,46)(H3,36,38,41,42)/t25-,26+,27-,32+/m0/s1
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| InChIKey |
TXMBOCGCZJDFNZ-ACIRYHQQSA-N
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| PubChem Compound ID | ||||
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