Binder Information
Binder General Information | Top | |||
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Binder ID |
BW73YD
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Binder Name |
N-(24-Oxo-3alpha-hydroxy-5beta-cholane-24-yl)aspartic acid
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Synonyms |
CHEMBL2323550; BDBM50027857
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL |
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Formula |
C28H45NO6
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Canonical SMILES |
C[C@H](CCC(=O)N[C@@H](CC(=O)O)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C
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InChI |
1S/C28H45NO6/c1-16(4-9-24(31)29-23(26(34)35)15-25(32)33)20-7-8-21-19-6-5-17-14-18(30)10-12-27(17,2)22(19)11-13-28(20,21)3/h16-23,30H,4-15H2,1-3H3,(H,29,31)(H,32,33)(H,34,35)/t16-,17-,18-,19+,20-,21+,22+,23+,27+,28-/m1/s1
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InChIKey |
KCGMIQQXZFFRLL-CNZWOIIDSA-N
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PubChem Compound ID |
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