Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B1QVP6
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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] methanesulfonate
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| Synonyms |
CHEMBL4066363; BDBM50258028
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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 |
C28H32FNO5S
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| Canonical SMILES |
C[C@@]12CC[C@@H]([C@@]([C@H]1CC[C@H]3[C@H]2C(=O)OC3)(C)/C=C/C4=NC=C(C=C4)C5=CC(=CC=C5)F)OS(=O)(=O)C
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| InChI |
1S/C28H32FNO5S/c1-27(13-11-22-9-7-19(16-30-22)18-5-4-6-21(29)15-18)23-10-8-20-17-34-26(31)25(20)28(23,2)14-12-24(27)35-36(3,32)33/h4-7,9,11,13,15-16,20,23-25H,8,10,12,14,17H2,1-3H3/b13-11+/t20-,23-,24+,25+,27+,28-/m1/s1
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| InChIKey |
YKHRRKZHRRFMAE-VZJAEVKSSA-N
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| PubChem Compound ID | ||||
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