
 GR-159897

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M  END

>  <Chemical Name>
GR-159897

>  <PubChem CID>
9953599

>  <Formula>
C23H27FN2O2S

>  <Molecular Weight>
414.539000

>  <IUPAC Name>
5-fluoro-3-[2-[4-methoxy-4-[[(R)-phenylsulfinyl]methyl]piperidin-1-yl]ethyl]-1H-indole

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1(CCN(CC1)CCC2=CNC3=C2C=C(C=C3)F)CS(=O)C4=CC=CC=C4

>  <Isomeric SMILES>
COC1(CCN(CC1)CCC2=CNC3=C2C=C(C=C3)F)C[S@@](=O)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C23H27FN2O2S/c1-28-23(17-29(27)20-5-3-2-4-6-20)10-13-26(14-11-23)12-9-18-16-25-22-8-7-19(24)15-21(18)22/h2-8,15-16,25H,9-14,17H2,1H3/t29-/m1/s1

>  <InChI Key>
BANYJBHWTOJQDU-GDLZYMKVSA-N

