
 CHEMBL3819082

 46 48  0  0  0  0  0  0  0  0999 V2000
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   -1.3232   -0.6757   -0.5257 C   0  0  0  0  0
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   -2.0537   -0.0488    1.7066 C   0  0  0  0  0
   -0.7335    0.6748    1.8661 C   0  0  0  0  0
   -0.3419    1.1113    3.1414 C   0  0  0  0  0
    0.8527    1.8160    3.3093 C   0  0  0  0  0
    1.6648    2.0910    2.2073 C   0  0  0  0  0
    1.2900    1.6536    0.9346 C   0  0  0  0  0
    0.0989    0.9319    0.7567 C   0  0  0  0  0
   -3.5693   -1.2164    0.1686 C   0  0  0  0  0
   -4.8537   -0.8067    0.9231 C   0  0  0  0  0
   -5.4537    0.5697    0.5006 C   0  0  0  0  0
   -6.0318    0.5064   -0.9406 C   0  0  0  0  0
   -7.3805   -0.0532   -0.6696 C   0  0  0  0  0
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   -8.2510   -0.6476   -1.5849 C   0  0  0  0  0
  -11.1228   -1.2532    0.6252 F   0  0  0  0  0
    2.2163   -1.5045    3.7280 Cl  0  0  0  0  0
   -0.6285    1.2939   -1.2153 H   0  0  0  0  0
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  -10.2033   -1.5352   -1.8311 H   0  0  0  0  0
   -7.9581   -0.7843   -2.6176 H   0  0  0  0  0
    1.2487   -1.6194    2.7571 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3819082

>  <PubChem CID>
127052468

>  <Formula>
C20H23ClFN

>  <Molecular Weight>
331.859000

>  <IUPAC Name>
2-[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CC2=CC=CC=C21)CCC3CC4=C(C3)C=C(C=C4)F.Cl

>  <Isomeric SMILES>
C1CN(CC2=CC=CC=C21)CCC3CC4=C(C3)C=C(C=C4)F.Cl

>  <InChI Std. ID>
InChI=1S/C20H22FN.ClH/c21-20-6-5-17-11-15(12-19(17)13-20)7-9-22-10-8-16-3-1-2-4-18(16)14-22;/h1-6,13,15H,7-12,14H2;1H

>  <InChI Key>
CPKFIRXOQTXZFK-UHFFFAOYSA-N

