
 CHEMBL92896

 50 53  0  0  0  0  0  0  0  0999 V2000
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   -0.9942    0.7194   -0.8164 C   0  0  0  0  0
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    1.0594   -0.2286    0.9324 C   0  0  0  0  0
    1.3768    0.9495    0.0951 N   0  0  0  0  0
    1.1401    2.2412    0.7887 C   0  0  0  0  0
    2.0469    2.4542    2.0093 C   0  0  0  0  0
    3.4130    2.2823    1.6383 O   0  0  0  0  0
   -2.7754   -0.1975    0.5558 C   0  0  0  0  0
   -3.2192    1.0248    1.4044 C   0  0  0  0  0
   -3.5809    0.5457    2.8356 C   0  0  0  0  0
   -3.8354   -0.9214    2.6026 C   0  0  0  0  0
   -3.3170   -1.3444    1.3690 C   0  0  0  0  0
   -3.3945   -2.6761    0.9799 C   0  0  0  0  0
   -4.0191   -3.5898    1.8297 C   0  0  0  0  0
   -4.5734   -3.1650    3.0448 C   0  0  0  0  0
   -4.4875   -1.8257    3.4323 C   0  0  0  0  0
   -5.1975   -1.3363    4.9214 Cl  0  0  0  0  0
   -2.5233    0.9163    3.8713 C   0  0  0  0  0
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   -1.7839   -0.0355    4.5979 C   0  0  0  0  0
    0.3068    2.0867    6.6689 F   0  0  0  0  0
    0.8452   -0.0257   -1.6908 H   0  0  0  0  0
    0.6945    1.7128   -1.7651 H   0  0  0  0  0
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    1.6826   -0.2407    1.8331 H   0  0  0  0  0
    1.3472   -1.1339    0.3798 H   0  0  0  0  0
    0.0985    2.3785    1.0954 H   0  0  0  0  0
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   -1.9297   -1.1019    4.4433 H   0  0  0  0  0
  1  6  1  0  0  0
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  3  4  1  0  0  0
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  4  5  1  0  0  0
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  4 32  1  0  0  0
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  5 34  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL92896

>  <PubChem CID>
15653098

>  <Formula>
C21H24ClFN2O

>  <Molecular Weight>
374.884000

>  <IUPAC Name>
2-[4-[4-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CCO)C2CC(C3=C2C=CC=C3Cl)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
C1CN(CCN1CCO)C2CC(C3=C2C=CC=C3Cl)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C21H24ClFN2O/c22-19-3-1-2-17-20(25-10-8-24(9-11-25)12-13-26)14-18(21(17)19)15-4-6-16(23)7-5-15/h1-7,18,20,26H,8-14H2

>  <InChI Key>
ADWYWJGQPNBBNY-UHFFFAOYSA-N

