
 CHEMBL430151

 48 51  0  0  0  0  0  0  0  0999 V2000
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   -0.7908   -0.9303    0.2066 C   0  0  0  0  0
   -0.2383   -2.0647   -0.5521 N   0  0  0  0  0
    1.2141   -2.2387   -0.3554 C   0  0  0  0  0
    2.0543   -0.9582   -0.3933 C   0  0  0  0  0
    1.4576    0.2115    0.3961 C   0  0  0  0  0
    1.6264    0.1497    1.9034 C   0  0  0  0  0
    1.6039   -0.9607    2.7187 C   0  0  0  0  0
    1.7391   -0.6018    4.0451 N   0  0  0  0  0
    1.8148    0.7904    4.1060 C   0  0  0  0  0
    1.7747    1.2695    2.7848 C   0  0  0  0  0
    1.8364    2.6638    2.5588 C   0  0  0  0  0
    1.9099    3.5396    3.6420 C   0  0  0  0  0
    1.9032    3.0612    4.9435 C   0  0  0  0  0
    1.8424    1.6867    5.1952 C   0  0  0  0  0
    1.9771    5.2366    3.3579 Cl  0  0  0  0  0
    1.7815   -1.5512    5.1138 C   0  0  0  0  0
    1.1117   -2.7825    4.9778 C   0  0  0  0  0
    1.1683   -3.7354    5.9969 C   0  0  0  0  0
    1.8974   -3.4642    7.1461 C   0  0  0  0  0
    2.5729   -2.2586    7.2944 C   0  0  0  0  0
    2.5197   -1.2998    6.2773 C   0  0  0  0  0
    1.9589   -4.3805    8.1201 F   0  0  0  0  0
   -0.9118   -3.3373   -0.1680 C   0  0  0  0  0
   -2.4203   -3.3646   -0.4535 C   0  0  0  0  0
   -2.6656   -3.0527   -1.8204 O   0  0  0  0  0
   -0.0700    0.6545   -1.0616 H   0  0  0  0  0
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   -1.8161   -0.7374   -0.1300 H   0  0  0  0  0
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    1.5884   -2.9012   -1.1470 H   0  0  0  0  0
    3.0723   -1.1772   -0.0477 H   0  0  0  0  0
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    1.9906    1.1129    0.0626 H   0  0  0  0  0
    1.5320   -2.0036    2.4613 H   0  0  0  0  0
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    0.5085   -3.0118    4.1026 H   0  0  0  0  0
    0.6473   -4.6832    5.9017 H   0  0  0  0  0
    3.1532   -2.0787    8.1946 H   0  0  0  0  0
    3.1143   -0.3991    6.3951 H   0  0  0  0  0
   -0.7442   -3.5628    0.8933 H   0  0  0  0  0
   -0.4572   -4.1468   -0.7538 H   0  0  0  0  0
   -2.9664   -2.6537    0.1734 H   0  0  0  0  0
   -2.8233   -4.3622   -0.2498 H   0  0  0  0  0
   -1.9819   -2.3974   -2.0596 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
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  2 30  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
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  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 17  1  0  0  0
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 26 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL430151

>  <PubChem CID>
15006448

>  <Formula>
C21H22ClFN2O

>  <Molecular Weight>
372.868000

>  <IUPAC Name>
2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol

>  <XlogP>
4.300

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCO

>  <Isomeric SMILES>
C1CN(CCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCO

>  <InChI Std. ID>
InChI=1S/C21H22ClFN2O/c22-16-1-6-21-19(13-16)20(15-7-9-24(10-8-15)11-12-26)14-25(21)18-4-2-17(23)3-5-18/h1-6,13-15,26H,7-12H2

>  <InChI Key>
ANOQQUDEPUAIRE-UHFFFAOYSA-N

