
 CHEMBL3361424

 63 65  0  0  0  0  0  0  0  0999 V2000
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    4.7876   -2.9734    1.5750 N   0  0  0  0  0
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    1.3266   -1.8941   -0.7111 H   0  0  0  0  0
    0.6411   -0.7995   -1.8951 H   0  0  0  0  0
    2.5070    0.5699   -2.1359 H   0  0  0  0  0
    3.4241   -0.5170   -1.1179 H   0  0  0  0  0
    4.0714    1.4693    0.3299 H   0  0  0  0  0
    3.2624    2.5328   -0.8257 H   0  0  0  0  0
    6.2116    2.4913    0.0846 H   0  0  0  0  0
    8.2983    2.6828   -1.2133 H   0  0  0  0  0
    8.3629    1.9753   -3.5907 H   0  0  0  0  0
    6.3120    1.0961   -4.6729 H   0  0  0  0  0
    4.2233    0.9151   -3.4119 H   0  0  0  0  0
    1.0568   -0.1339    1.8932 H   0  0  0  0  0
    2.5003    0.8192    1.6882 H   0  0  0  0  0
    3.2975   -1.6385    0.7492 H   0  0  0  0  0
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  1  6  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
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  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6 15  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
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  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3361424

>  <PubChem CID>
118724985

>  <Formula>
C24H33N5O

>  <Molecular Weight>
407.562000

>  <IUPAC Name>
N-[[1-benzyl-4-(2-phenylethyl)piperidin-4-yl]methyl]-2-(diaminomethylideneamino)acetamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1(CCC2=CC=CC=C2)CNC(=O)CN=C(N)N)CC3=CC=CC=C3

>  <Isomeric SMILES>
C1CN(CCC1(CCC2=CC=CC=C2)CNC(=O)CN=C(N)N)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C24H33N5O/c25-23(26)27-17-22(30)28-19-24(12-11-20-7-3-1-4-8-20)13-15-29(16-14-24)18-21-9-5-2-6-10-21/h1-10H,11-19H2,(H,28,30)(H4,25,26,27)

>  <InChI Key>
ISCAWZRRKXBDFH-UHFFFAOYSA-N

