Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
B0MSB5
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| Binder Name |
3-O-beta-6-Deoxy-D-glucopyranosyl cincholic acid28-O-beta-D-glucopyranosyl ester
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| Synonyms |
CHEMBL1095350; BDBM50317555
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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 |
C42H66O14
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| Canonical SMILES |
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)C)C)[C@@H]2[C@H]1C)C(=O)O)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
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| InChI |
1S/C42H66O14/c1-19-10-15-41(37(52)56-35-33(49)31(47)29(45)23(18-43)54-35)16-17-42(36(50)51)22(27(41)20(19)2)8-9-25-39(6)13-12-26(38(4,5)24(39)11-14-40(25,42)7)55-34-32(48)30(46)28(44)21(3)53-34/h8,19-21,23-35,43-49H,9-18H2,1-7H3,(H,50,51)/t19-,20+,21+,23-,24+,25-,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,39+,40-,41+,42-/m1/s1
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| InChIKey |
AQLCKWUMMOZIEY-ZHXCYGBYSA-N
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| PubChem Compound ID | ||||
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