Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BX74BF
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| Binder Name |
3-[(2S,5R)-3,6-Dioxo-7-(2-tetradecyl-hexadecyl)-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxymethyl)-[1,4,7]thiadiazecan-2-yl]-propionic acid
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| Synonyms |
CHEMBL3215517; CHEMBL53629; BDBM50091501
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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 |
C47H88N2O10S
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| Canonical SMILES |
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CN1CCCS[C@H](C(=O)N[C@@H](C1=O)CO[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O)CCC(=O)O
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| InChI |
1S/C47H88N2O10S/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-37(29-26-24-22-20-18-16-14-12-10-8-6-4-2)34-49-32-27-33-60-40(30-31-41(51)52)45(56)48-38(46(49)57)36-58-47-44(55)43(54)42(53)39(35-50)59-47/h37-40,42-44,47,50,53-55H,3-36H2,1-2H3,(H,48,56)(H,51,52)/t38-,39-,40+,42-,43-,44+,47+/m1/s1
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| InChIKey |
RCBSARHVFZVTLU-PRDZVKGWSA-N
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| PubChem Compound ID | ||||
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