
 CHEMBL3828236

 67 71  0  0  0  0  0  0  0  0999 V2000
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    0.3675   -3.1884   -0.0855 H   0  0  0  0  0
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    3.1215    1.6573    1.5416 H   0  0  0  0  0
    1.6954    1.0676    0.7738 H   0  0  0  0  0
    4.5415    2.6563   -0.0721 H   0  0  0  0  0
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    4.8528    1.0964   -4.0482 H   0  0  0  0  0
    3.2901   -0.7417   -3.4599 H   0  0  0  0  0
    2.3723   -0.9061   -1.1759 H   0  0  0  0  0
    3.8784   -1.2193    3.3751 H   0  0  0  0  0
    3.8060    0.5170    3.3231 H   0  0  0  0  0
    5.6337    1.7455    2.0221 H   0  0  0  0  0
    7.8811   -2.5380    1.3699 H   0  0  0  0  0
    5.5676   -2.5443    2.2134 H   0  0  0  0  0
   10.0142   -0.9874    0.9932 H   0  0  0  0  0
    9.7202    0.6605    0.5314 H   0  0  0  0  0
    7.8988   -2.3056   -1.1035 H   0  0  0  0  0
    9.4354   -2.7184   -0.3433 H   0  0  0  0  0
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    8.6693    1.2209   -1.5012 H   0  0  0  0  0
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   10.4896    0.9482   -5.8943 H   0  0  0  0  0
   10.3409    1.2030   -3.4346 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
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 31 66  1  0  0  0
 32 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3828236

>  <PubChem CID>
127045277

>  <Formula>
C29H35N3

>  <Molecular Weight>
425.620000

>  <IUPAC Name>
N-benzyl-N-[[6-[[benzyl(cyclopropylmethyl)amino]methyl]pyridin-3-yl]methyl]-1-cyclopropylmethanamine

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC1CN(CC2=CC=CC=C2)CC3=CN=C(C=C3)CN(CC4CC4)CC5=CC=CC=C5

>  <Isomeric SMILES>
C1CC1CN(CC2=CC=CC=C2)CC3=CN=C(C=C3)CN(CC4CC4)CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C29H35N3/c1-3-7-24(8-4-1)18-31(20-26-11-12-26)22-28-15-16-29(30-17-28)23-32(21-27-13-14-27)19-25-9-5-2-6-10-25/h1-10,15-17,26-27H,11-14,18-23H2

>  <InChI Key>
CJOMWPDGJAURLE-UHFFFAOYSA-N

