
 CHEMBL3827585

 54 56  0  0  0  0  0  0  0  0999 V2000
    2.9601   -0.5523   -3.1694 C   0  0  0  0  0
    2.1237    0.0083   -2.1009 N   0  0  0  0  0
    2.4591   -0.5898   -0.7898 C   0  0  0  0  0
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    0.6817   -3.9641   -0.6047 C   0  0  0  0  0
    0.9172   -2.5869   -0.5712 C   0  0  0  0  0
    1.4326   -6.3449   -0.9671 C   0  0  0  0  0
    2.4896   -7.2689   -0.4975 N   0  0  0  0  0
    2.6017   -7.2136    0.9665 C   0  0  0  0  0
    2.1493   -8.6335   -0.9544 C   0  0  0  0  0
    3.1912   -9.6978   -0.6646 C   0  0  0  0  0
    4.5661   -9.4365   -0.7859 C   0  0  0  0  0
    5.5035  -10.4370   -0.5230 C   0  0  0  0  0
    5.0683  -11.7071   -0.1659 C   0  0  0  0  0
    3.7134  -11.9992   -0.0733 C   0  0  0  0  0
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    5.9679  -12.6666    0.0888 F   0  0  0  0  0
    2.3094    1.4706   -2.0789 C   0  0  0  0  0
    1.3416    2.2048   -1.1748 C   0  0  0  0  0
    1.8231    3.0372   -0.1515 C   0  0  0  0  0
    0.9344    3.7369    0.6649 C   0  0  0  0  0
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   -1.2852    4.2850    1.2393 F   0  0  0  0  0
    2.7472   -0.0656   -4.1278 H   0  0  0  0  0
    2.7494   -1.6149   -3.3304 H   0  0  0  0  0
    4.0304   -0.4354   -2.9591 H   0  0  0  0  0
    1.8425   -0.1434    0.0009 H   0  0  0  0  0
    3.5005   -0.3757   -0.5142 H   0  0  0  0  0
    4.2857   -2.6222   -1.0528 H   0  0  0  0  0
    3.8626   -5.0393   -1.1550 H   0  0  0  0  0
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    0.0809   -1.9024   -0.4454 H   0  0  0  0  0
    1.2698   -6.4949   -2.0434 H   0  0  0  0  0
    0.4840   -6.5816   -0.4659 H   0  0  0  0  0
    2.8728   -6.2073    1.3042 H   0  0  0  0  0
    3.4027   -7.8654    1.3299 H   0  0  0  0  0
    1.6699   -7.5035    1.4644 H   0  0  0  0  0
    2.0198   -8.6313   -2.0453 H   0  0  0  0  0
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    4.9085   -8.4428   -1.0688 H   0  0  0  0  0
    6.5665  -10.2324   -0.5934 H   0  0  0  0  0
    3.3968  -13.0018    0.1947 H   0  0  0  0  0
    1.7165  -11.2364   -0.2565 H   0  0  0  0  0
    2.1475    1.8783   -3.0865 H   0  0  0  0  0
    3.3447    1.7209   -1.8115 H   0  0  0  0  0
    2.8925    3.1456    0.0140 H   0  0  0  0  0
    1.2990    4.3815    1.4573 H   0  0  0  0  0
   -2.0040    2.7080   -0.6961 H   0  0  0  0  0
   -0.4317    1.4480   -2.1580 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 30  1  0  0  0
  1 31  1  0  0  0
  2 21  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6  7  2  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 36  1  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
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 15 16  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3827585

>  <PubChem CID>
127045446

>  <Formula>
C24H26F2N2

>  <Molecular Weight>
380.483000

>  <IUPAC Name>
N-[(4-fluorophenyl)methyl]-1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CC1=CC=C(C=C1)CN(C)CC2=CC=C(C=C2)F)CC3=CC=C(C=C3)F

>  <Isomeric SMILES>
CN(CC1=CC=C(C=C1)CN(C)CC2=CC=C(C=C2)F)CC3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C24H26F2N2/c1-27(17-21-7-11-23(25)12-8-21)15-19-3-5-20(6-4-19)16-28(2)18-22-9-13-24(26)14-10-22/h3-14H,15-18H2,1-2H3

>  <InChI Key>
CKLCVUQWKGNXNN-UHFFFAOYSA-N

