
 CHEMBL59413

 53 56  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL59413

>  <PubChem CID>
44301859

>  <Formula>
C22H25FN2O2S

>  <Molecular Weight>
400.512000

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

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1(CS(=O)C2=CC=CC=C2)O)CCC3=CNC4=C3C=C(C=C4)F

>  <Isomeric SMILES>
C1CN(CCC1(C[S@@](=O)C2=CC=CC=C2)O)CCC3=CNC4=C3C=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C22H25FN2O2S/c23-18-6-7-21-20(14-18)17(15-24-21)8-11-25-12-9-22(26,10-13-25)16-28(27)19-4-2-1-3-5-19/h1-7,14-15,24,26H,8-13,16H2/t28-/m1/s1

>  <InChI Key>
VWIWOPFCNLLGBQ-MUUNZHRXSA-N

