
 CHEMBL25126

 65 68  0  0  0  0  0  0  0  0999 V2000
    1.0680   -0.9223    2.4021 C   0  0  0  0  0
    2.5221   -0.8791    1.9420 C   0  0  0  0  0
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    5.5847   -2.9595    1.9627 C   0  0  0  0  0
    0.4009   -1.3151    1.6326 H   0  0  0  0  0
    0.7157    0.0858    2.6481 H   0  0  0  0  0
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    3.3899    0.9267    2.8540 H   0  0  0  0  0
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    4.1248   -2.7678    3.5478 H   0  0  0  0  0
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    5.4379   -4.0415    1.9012 H   0  0  0  0  0
    6.4942   -2.7957    2.5511 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
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  7  8  2  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
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 31 64  1  0  0  0
 31 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL25126

>  <PubChem CID>
44275530

>  <Formula>
C26H34N2O3

>  <Molecular Weight>
422.569000

>  <IUPAC Name>
[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methanone

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CCC(N1C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCN4CCOCC4)C

>  <Isomeric SMILES>
C[C@H]1CC[C@@H](N1C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCN4CCOCC4)C

>  <InChI Std. ID>
InChI=1S/C26H34N2O3/c1-20-4-5-21(2)28(20)26(29)24-8-6-22(7-9-24)23-10-12-25(13-11-23)31-17-3-14-27-15-18-30-19-16-27/h6-13,20-21H,3-5,14-19H2,1-2H3/t20-,21-/m0/s1

>  <InChI Key>
BCJPDCQDUPNYGF-SFTDATJTSA-N

