
 CHEMBL552669

 62 64  0  0  0  0  0  0  0  0999 V2000
    1.4406   -0.5935    0.0194 C   0  0  0  0  0
    2.9056   -0.2769    0.3288 C   0  0  0  0  0
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    4.3421   -2.2931   -0.4845 C   0  0  0  0  0
    3.0916    1.1899    0.3433 N   0  0  0  0  0
    4.4666    1.5823    0.6861 C   0  0  0  0  0
    4.6162    3.1217    0.8636 C   0  0  0  0  0
    3.9435    3.6131    2.1674 C   0  0  0  0  0
    4.0767    5.1104    2.3189 C   0  0  0  0  0
    3.4046    5.9697    1.4334 C   0  0  0  0  0
    3.5244    7.3557    1.5696 C   0  0  0  0  0
    4.3195    7.8940    2.5846 C   0  0  0  0  0
    4.9930    7.0471    3.4690 C   0  0  0  0  0
    4.8706    5.6593    3.3422 C   0  0  0  0  0
    6.0436    3.4717    0.9562 N   0  0  0  0  0
    6.6961    3.6590   -0.3508 C   0  0  0  0  0
    8.2071    3.7754   -0.2398 C   0  0  0  0  0
    8.9844    2.6051   -0.3140 C   0  0  0  0  0
   10.3785    2.6717   -0.1891 C   0  0  0  0  0
   11.0055    3.9041    0.0144 C   0  0  0  0  0
   10.2466    5.0701    0.0826 C   0  0  0  0  0
    8.8615    5.0144   -0.0491 C   0  0  0  0  0
   11.3423    1.2096   -0.2815 Cl  0  0  0  0  0
   -0.5822   -1.7489   -3.9047 Cl  0  0  0  0  0
    0.7780   -0.1213    0.7754 H   0  0  0  0  0
    1.2706   -1.6910    0.0467 H   0  0  0  0  0
    1.1666   -0.2069   -0.9845 H   0  0  0  0  0
    3.1086   -0.6408    1.3540 H   0  0  0  0  0
    3.6133    0.6241   -2.1411 H   0  0  0  0  0
    5.0196   -0.4329   -3.8450 H   0  0  0  0  0
    6.0077   -2.6484   -3.4662 H   0  0  0  0  0
    6.3183   -4.6180   -2.0717 H   0  0  0  0  0
    5.8800   -5.8542    0.0100 H   0  0  0  0  0
    4.4671   -4.8644    1.7758 H   0  0  0  0  0
    3.4905   -2.6656    1.5016 H   0  0  0  0  0
    2.4403    1.5753    1.0625 H   0  0  0  0  0
    5.1307    1.2626   -0.1395 H   0  0  0  0  0
    4.8137    1.0639    1.6088 H   0  0  0  0  0
    4.1518    3.6355   -0.0092 H   0  0  0  0  0
    4.4393    3.0979    3.0209 H   0  0  0  0  0
    2.8647    3.3657    2.2110 H   0  0  0  0  0
    2.7841    5.5641    0.6443 H   0  0  0  0  0
    3.0004    8.0122    0.8873 H   0  0  0  0  0
    4.4132    8.9676    2.6858 H   0  0  0  0  0
    5.6106    7.4665    4.2529 H   0  0  0  0  0
    5.4004    5.0150    4.0329 H   0  0  0  0  0
    6.5073    2.7184    1.5124 H   0  0  0  0  0
    6.2982    4.5844   -0.8244 H   0  0  0  0  0
    6.4702    2.8056   -1.0247 H   0  0  0  0  0
    8.5070    1.6435   -0.4639 H   0  0  0  0  0
   12.0807    3.9611    0.1181 H   0  0  0  0  0
   10.7297    6.0255    0.2396 H   0  0  0  0  0
    8.3225    5.9464    0.0044 H   0  0  0  0  0
    0.2204   -0.9378   -3.1387 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  5  6  2  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  9 10  2  0  0  0
  9 41  1  0  0  0
 10 11  1  0  0  0
 10 42  1  0  0  0
 11 12  2  0  0  0
 11 43  1  0  0  0
 13 14  1  0  0  0
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 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
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 27 28  2  0  0  0
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 28 29  1  0  0  0
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 29 30  2  0  0  0
 29 60  1  0  0  0
 30 61  1  0  0  0
 32 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL552669

>  <PubChem CID>
45261536

>  <Formula>
C28H30Cl2N2

>  <Molecular Weight>
465.462000

>  <IUPAC Name>
2-N-[(3-chlorophenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC(CC3=CC=CC=C3)NCC4=CC(=CC=C4)Cl.Cl

>  <Isomeric SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC(CC3=CC=CC=C3)NCC4=CC(=CC=C4)Cl.Cl

>  <InChI Std. ID>
InChI=1S/C28H29ClN2.ClH/c1-21(27-16-8-13-24-12-5-6-15-28(24)27)30-20-26(18-22-9-3-2-4-10-22)31-19-23-11-7-14-25(29)17-23;/h2-17,21,26,30-31H,18-20H2,1H3;1H

>  <InChI Key>
JFTHVYGDAFCNMP-UHFFFAOYSA-N

