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(2S,5R)-8-(2-Fluoro-ethyl)-3-(4-trimethylstannanyl-phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
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NAMES
  • (2S,5R)-8-(2-Fluoro-ethyl)-3-(4-trimethylstannanyl-phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
SMILES
COC(=O)[C@H]1C(c2ccc([Sn](C)(C)C)cc2)C[C@H]2CCC1N2CCF
InChI
InChI=1S/C17H21FNO2.3CH3.Sn/c1-21-17(20)16-14(12-5-3-2-4-6-12)11-13-7-8-15(16)19(13)10-9-18;;;;/h3-6,13-16H,7-11H2,1H3;3*1H3;/t13-,14?,15?,16+;;;;/m1..../s1
MOLECULAR FORMULA
C20H30FNO2Sn
CROSS REFERENCES
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(2S,5R)-8-(2-Fluoro-ethyl)-3-(4-trimethylstannanyl-phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 455.13
AlogP 3.31
HBond donors 0
HBond acceptors 3
Atoms 55
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by (2S,5R)-8-(2-Fluoro-ethyl)-3-(4-trimethylstannanyl-phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester.