Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B50PZE
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| Binder Name |
(2R,3R,4S,5R)-2-[6-(4-Chloro-2-fluoroanilino)-2-(3,5-dimethylphenyl)purin-9-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]oxolane-3,4-diol
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| Synonyms |
CHEMBL4105044; BDBM50247443
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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 |
C29H29ClFN7O3
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| Canonical SMILES |
CC1=CC(=CC(=C1)C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CN5C(=CC(=N5)C)C)O)O)NC6=C(C=C(C=C6)Cl)F)C
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| InChI |
1S/C29H29ClFN7O3/c1-14-7-15(2)9-18(8-14)26-34-27(33-21-6-5-19(30)11-20(21)31)23-28(35-26)37(13-32-23)29-25(40)24(39)22(41-29)12-38-17(4)10-16(3)36-38/h5-11,13,22,24-25,29,39-40H,12H2,1-4H3,(H,33,34,35)/t22-,24-,25-,29-/m1/s1
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| InChIKey |
QKIBRDGEKNXZLL-UQCYUJMQSA-N
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| PubChem Compound ID | ||||
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