
 CHEMBL3818128

 45 46  0  0  0  0  0  0  0  0999 V2000
    0.0918    0.1597   -0.3729 C   0  0  0  0  0
   -1.0877   -0.8156   -0.3702 C   0  0  0  0  0
   -2.2348   -0.2134    0.3249 N   0  0  0  0  0
   -1.9396   -0.0519    1.7716 C   0  0  0  0  0
   -0.5672    0.5252    2.0438 C   0  0  0  0  0
   -0.2487    0.9544    3.3420 C   0  0  0  0  0
    0.9933    1.5363    3.6074 C   0  0  0  0  0
    1.9260    1.6951    2.5805 C   0  0  0  0  0
    1.6253    1.2602    1.2871 C   0  0  0  0  0
    0.3866    0.6598    1.0133 C   0  0  0  0  0
   -3.4488   -1.0326    0.1005 C   0  0  0  0  0
   -4.7186   -0.3714    0.6644 C   0  0  0  0  0
   -5.9634   -1.2180    0.3691 C   0  0  0  0  0
   -7.2194   -0.5650    0.9651 C   0  0  0  0  0
   -8.4584   -1.3879    0.7078 C   0  0  0  0  0
   -9.5191   -0.8566   -0.0470 C   0  0  0  0  0
  -10.6707   -1.6163   -0.2753 C   0  0  0  0  0
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   -9.7258   -3.4432    1.0010 C   0  0  0  0  0
   -8.5723   -2.6879    1.2332 C   0  0  0  0  0
  -11.8924   -3.6422    0.0254 F   0  0  0  0  0
    2.3701   -1.7702    4.0160 Cl  0  0  0  0  0
   -0.1014    1.0356   -1.0287 H   0  0  0  0  0
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    2.3615    1.3758    0.5011 H   0  0  0  0  0
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   -9.8069   -4.4429    1.4081 H   0  0  0  0  0
   -7.7712   -3.1131    1.8243 H   0  0  0  0  0
    1.3532   -1.7111    3.0919 H   0  0  0  0  0
  1  2  1  0  0  0
  1 10  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
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  2 26  1  0  0  0
  3  4  1  0  0  0
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  4  5  1  0  0  0
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  4 28  1  0  0  0
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  5 10  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 32  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3818128

>  <PubChem CID>
127052757

>  <Formula>
C19H23ClFN

>  <Molecular Weight>
319.848000

>  <IUPAC Name>
2-[4-(4-fluorophenyl)butyl]-3,4-dihydro-1H-isoquinoline;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CC2=CC=CC=C21)CCCCC3=CC=C(C=C3)F.Cl

>  <Isomeric SMILES>
C1CN(CC2=CC=CC=C21)CCCCC3=CC=C(C=C3)F.Cl

>  <InChI Std. ID>
InChI=1S/C19H22FN.ClH/c20-19-10-8-16(9-11-19)5-3-4-13-21-14-12-17-6-1-2-7-18(17)15-21;/h1-2,6-11H,3-5,12-15H2;1H

>  <InChI Key>
ABCIREFWVKRPQQ-UHFFFAOYSA-N

