
 CHEMBL2204348

 55 58  0  0  0  0  0  0  0  0999 V2000
    8.5946   -1.2990    0.8475 C   0  0  0  0  0
    7.9911   -0.2979    0.0091 N   0  0  0  0  0
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    2.7778    3.4916   -4.0096 C   0  0  0  0  0
    4.0078    2.9674   -4.4020 C   0  0  0  0  0
    4.6878    2.0600   -3.5809 C   0  0  0  0  0
    6.1661    1.4096   -4.1937 Cl  0  0  0  0  0
    6.1117    2.4774   -0.0432 C   0  0  0  0  0
    7.3948    3.0650    0.4300 N   0  0  0  0  0
    7.0816    4.2954    1.1810 C   0  0  0  0  0
    8.3220    5.0024    1.7147 C   0  0  0  0  0
    9.3641    5.3035    0.6295 C   0  0  0  0  0
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    9.6720    7.7924   -0.0007 C   0  0  0  0  0
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    7.5846    9.0109   -2.6092 F   0  0  0  0  0
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    8.5994    0.3661   -0.4474 H   0  0  0  0  0
    6.9107    1.2185   -1.6196 H   0  0  0  0  0
    4.1375    0.5003   -0.5563 H   0  0  0  0  0
    4.9359   -0.2493   -1.9065 H   0  0  0  0  0
    2.4448    1.9311   -1.0191 H   0  0  0  0  0
    1.2537    3.4997   -2.4905 H   0  0  0  0  0
    2.2489    4.1863   -4.6578 H   0  0  0  0  0
    4.4291    3.2620   -5.3610 H   0  0  0  0  0
    5.4627    2.3283    0.8314 H   0  0  0  0  0
    5.6127    3.2197   -0.6787 H   0  0  0  0  0
    6.4549    4.0379    2.0450 H   0  0  0  0  0
    6.4922    4.9889    0.5709 H   0  0  0  0  0
    8.7811    4.3745    2.4918 H   0  0  0  0  0
    8.0085    5.9214    2.2266 H   0  0  0  0  0
   10.1860    3.3300    0.3629 H   0  0  0  0  0
   10.2219    4.2848   -1.0936 H   0  0  0  0  0
    7.8169    3.9108   -1.4725 H   0  0  0  0  0
    8.6381    2.4078   -1.1421 H   0  0  0  0  0
   11.7210    7.9815    0.4606 H   0  0  0  0  0
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   11.7069    6.7776    2.5386 H   0  0  0  0  0
    9.9598    6.8837    2.7209 H   0  0  0  0  0
    9.5143    9.8234   -0.9318 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 31  1  0  0  0
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  3  5  1  0  0  0
  3  4  2  0  0  0
  5 14  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
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  7 12  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 10  2  0  0  0
  9 38  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2204348

>  <PubChem CID>
52951942

>  <Formula>
C22H26ClFN2O2S

>  <Molecular Weight>
436.970000

>  <IUPAC Name>
(2R)-2-[(2-chlorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methylpropanamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CNC(=O)C(CC1=CC=CC=C1Cl)CN2CCC3(CC2)C4=C(CCO3)C=C(S4)F

>  <Isomeric SMILES>
CNC(=O)[C@H](CC1=CC=CC=C1Cl)CN2CCC3(CC2)C4=C(CCO3)C=C(S4)F

>  <InChI Std. ID>
InChI=1S/C22H26ClFN2O2S/c1-25-21(27)17(12-15-4-2-3-5-18(15)23)14-26-9-7-22(8-10-26)20-16(6-11-28-22)13-19(24)29-20/h2-5,13,17H,6-12,14H2,1H3,(H,25,27)/t17-/m1/s1

>  <InChI Key>
BFXFATDFGYSQHY-QGZVFWFLSA-N

