
 CHEMBL397770

 45 48  0  0  0  0  0  0  0  0999 V2000
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   -0.5115    1.1200    0.7727 C   0  0  0  0  0
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    3.2065    0.2364   -1.8419 C   0  0  0  0  0
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    5.6145   -0.0751   -1.5694 C   0  0  0  0  0
    5.4155   -0.4471   -0.2494 C   0  0  0  0  0
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    4.8704    0.7181   -4.0022 Cl  0  0  0  0  0
    1.9037    0.6919   -2.9022 Cl  0  0  0  0  0
    1.7911   -0.6723    1.5438 O   0  0  0  0  0
   -2.7313    0.2000    0.3153 C   0  0  0  0  0
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   -3.4118    2.2866   -1.0421 C   0  0  0  0  0
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   -4.4079    3.5325    0.5456 C   0  0  0  0  0
   -5.0648    4.5458    1.2544 C   0  0  0  0  0
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    6.2625   -0.7117    0.3791 H   0  0  0  0  0
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   -3.9709    1.2291    3.0110 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL397770

>  <PubChem CID>
44438197

>  <Formula>
C20H20Cl2N2O

>  <Molecular Weight>
375.293000

>  <IUPAC Name>
4-(2,3-dichlorophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC1(C2=C(C(=CC=C2)Cl)Cl)O)CC3=CNC4=CC=CC=C43

>  <Isomeric SMILES>
C1CN(CCC1(C2=C(C(=CC=C2)Cl)Cl)O)CC3=CNC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C20H20Cl2N2O/c21-17-6-3-5-16(19(17)22)20(25)8-10-24(11-9-20)13-14-12-23-18-7-2-1-4-15(14)18/h1-7,12,23,25H,8-11,13H2

>  <InChI Key>
ASKCQUQTSBOXCM-UHFFFAOYSA-N

