Binder Information
Binder General Information | Top | |||
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Binder ID |
BU1CX6
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Binder Name |
[(2R,4As,5S,6S,8aS)-5-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1,1,4a,6-tetramethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl] butanoate
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Synonyms |
CHEMBL4086105; BDBM50257973
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL |
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Formula |
C31H40FNO2
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Canonical SMILES |
CCCC(=O)O[C@@H]1CC[C@@]2([C@@H](C1(C)C)CC[C@@H]([C@H]2/C=C/C3=NC=C(C=C3)C4=CC(=CC=C4)F)C)C
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InChI |
1S/C31H40FNO2/c1-6-8-29(34)35-28-17-18-31(5)26(21(2)11-16-27(31)30(28,3)4)15-14-25-13-12-23(20-33-25)22-9-7-10-24(32)19-22/h7,9-10,12-15,19-21,26-28H,6,8,11,16-18H2,1-5H3/b15-14+/t21-,26+,27+,28+,31-/m0/s1
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InChIKey |
GDQQXUOCRGYYMF-JXIGPWNZSA-N
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PubChem Compound ID |
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