
 CHEMBL340541

 43 45  0  0  0  0  0  0  0  0999 V2000
   -1.5215    0.8964   -0.0942 C   0  0  0  0  0
   -0.3135    1.2419    0.7917 C   0  0  0  0  0
    0.8279    0.3614    0.4983 N   0  0  0  0  0
    0.4687   -1.0408    0.7881 C   0  0  0  0  0
   -0.9043   -1.4490    0.3247 C   0  0  0  0  0
   -1.8487   -0.5774   -0.0775 C   0  0  0  0  0
   -3.2065   -1.0028   -0.4921 C   0  0  0  0  0
   -3.8518   -2.0843    0.1316 C   0  0  0  0  0
   -5.1516   -2.4566   -0.2289 C   0  0  0  0  0
   -5.8262   -1.7438   -1.2146 C   0  0  0  0  0
   -5.2115   -0.6658   -1.8431 C   0  0  0  0  0
   -3.9101   -0.2989   -1.4827 C   0  0  0  0  0
   -7.4290   -2.1916   -1.6511 Cl  0  0  0  0  0
    2.0325    0.7240    1.2740 C   0  0  0  0  0
    2.6543    2.0497    0.8236 C   0  0  0  0  0
    3.8964    2.3878    1.6281 C   0  0  0  0  0
    4.3700    1.6216    2.4634 O   0  0  0  0  0
    4.5534    3.7131    1.4010 C   0  0  0  0  0
    5.6379    4.0698    2.2161 C   0  0  0  0  0
    6.2736    5.3040    2.0505 C   0  0  0  0  0
    5.8305    6.1927    1.0659 C   0  0  0  0  0
    4.7527    5.8377    0.2491 C   0  0  0  0  0
    4.1169    4.6037    0.4133 C   0  0  0  0  0
    6.5617    7.7352    0.8042 Cl  0  0  0  0  0
    7.5987    5.6746    3.0971 Cl  0  0  0  0  0
   -1.3118    1.2040   -1.1268 H   0  0  0  0  0
   -2.3783    1.4833    0.2587 H   0  0  0  0  0
   -0.0635    2.2875    0.5876 H   0  0  0  0  0
   -0.5940    1.1768    1.8512 H   0  0  0  0  0
    0.5195   -1.2426    1.8668 H   0  0  0  0  0
    1.2002   -1.6949    0.2977 H   0  0  0  0  0
   -1.0968   -2.5181    0.3429 H   0  0  0  0  0
   -3.3592   -2.6416    0.9249 H   0  0  0  0  0
   -5.6291   -3.2950    0.2703 H   0  0  0  0  0
   -5.7356   -0.1047   -2.6125 H   0  0  0  0  0
   -3.4532    0.5428   -1.9959 H   0  0  0  0  0
    2.7910   -0.0598    1.1390 H   0  0  0  0  0
    1.8057    0.7574    2.3479 H   0  0  0  0  0
    1.9416    2.8664    0.9647 H   0  0  0  0  0
    2.9318    1.9827   -0.2349 H   0  0  0  0  0
    5.9863    3.3844    2.9883 H   0  0  0  0  0
    4.4015    6.5221   -0.5213 H   0  0  0  0  0
    3.2853    4.3655   -0.2447 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 12 36  1  0  0  0
 14 15  1  0  0  0
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 14 38  1  0  0  0
 15 16  1  0  0  0
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 15 40  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
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 23 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL340541

>  <PubChem CID>
14970533

>  <Formula>
C20H18Cl3NO

>  <Molecular Weight>
394.720000

>  <IUPAC Name>
3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(3,4-dichlorophenyl)propan-1-one

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CC=C1C2=CC=C(C=C2)Cl)CCC(=O)C3=CC(=C(C=C3)Cl)Cl

>  <Isomeric SMILES>
C1CN(CC=C1C2=CC=C(C=C2)Cl)CCC(=O)C3=CC(=C(C=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C20H18Cl3NO/c21-17-4-1-14(2-5-17)15-7-10-24(11-8-15)12-9-20(25)16-3-6-18(22)19(23)13-16/h1-7,13H,8-12H2

>  <InChI Key>
DRRXRVPBQMDXNA-UHFFFAOYSA-N

