Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B3B0QI
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| Binder Name |
[(3As,5aS,6S,7S,9aR,9bR)-6-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-6,9a-dimethyl-1-oxo-3a,4,5,5a,7,8,9,9b-octahydro-3H-benzo[e][2]benzofuran-7-yl] butanoate
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| Synonyms |
CHEMBL4080194; BDBM50257998
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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 |
C31H36FNO4
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| Canonical SMILES |
CCCC(=O)O[C@H]1CC[C@@]2([C@@H]([C@]1(C)/C=C/C3=NC=C(C=C3)C4=CC(=CC=C4)F)CC[C@H]5[C@H]2C(=O)OC5)C
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| InChI |
1S/C31H36FNO4/c1-4-6-27(34)37-26-14-16-31(3)25(12-10-22-19-36-29(35)28(22)31)30(26,2)15-13-24-11-9-21(18-33-24)20-7-5-8-23(32)17-20/h5,7-9,11,13,15,17-18,22,25-26,28H,4,6,10,12,14,16,19H2,1-3H3/b15-13+/t22-,25-,26+,28+,30+,31-/m1/s1
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| InChIKey |
MBNGICLNOSVRPE-OXVHUCTKSA-N
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| PubChem Compound ID | ||||
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